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README.md
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| **cross_compatibility** | Boolean | Whether or not this data can be mixed with other rows from a DFT calculation parameter perspective. More information on our approach below. | |
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## Available
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To better support the diverse communities that may utilize this dataset, we are providing the following splits of our database:
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- **Compatible, PBE (default)**: This
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- **Compatible, PBESol**: Similar to the Compatible, PBE
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- **Compatible, SCAN**: Similar to the Compatible, PBE
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- **All**: This
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## Method for compatibility compliance
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| **cross_compatibility** | Boolean | Whether or not this data can be mixed with other rows from a DFT calculation parameter perspective. More information on our approach below. | |
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## Available subsets
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To better support the diverse communities that may utilize this dataset, we are providing the following splits of our database:
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- **Compatible, PBE (default)**: This subset includes rows filtered to ensure cross-compatibility from a DFT perspective. For details on the filtering methodology, see the section below. Only PBE records are included. We designate this as the default subset to prevent accidental training of models on non-compatible data.
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- **Compatible, PBESol**: Similar to the Compatible, PBE subset, but includes only PBESol data.
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- **Compatible, SCAN**: Similar to the Compatible, PBE subset, but includes only SCAN data.
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- **All**: This includes all records formatted as described above. **Disclaimer**: Researchers must carefully evaluate the suitability of individual rows for their specific applications.
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## Method for compatibility compliance
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