id string | hash string | name string | last_modified timestamp[us] | nconfigurations int32 | nproperty_objects int64 | nsites int64 | nelements int32 | elements list | total_elements_ratios list | nperiodic_dimensions list | dimension_types list | energy_count int64 | energy_mean float64 | energy_variance float64 | atomization_energy_count int64 | adsorption_energy_count int64 | energy_above_hull_count int64 | formation_energy_count int64 | atomic_forces_count int64 | electronic_band_gap_count int64 | cauchy_stress_count int64 | authors list | description string | extended_id string | license string | links string | publication_year string | doi string | equilibrium bool | methods list | software list | date_added_to_colabfit timestamp[us] | date_requested timestamp[us] |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DS_mm4npn96qxo1_0 | 1089736611212157014602167163883936961796773698586364644456332702962326995890186254757406436791689608103542982340591369806262513014934582666346424670089989 | OMat24_validation_rattled_300 | 2025-09-23T20:03:55 | 62,451 | 62,451 | 883,431 | 84 | [
"Ac",
"Ag",
"Al",
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"Au",
"B",
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"C",
"Ca",
"Cd",
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"Cl",
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"F",
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"Hf",
"Hg",
"Ho",
"I",
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"Ir",
"K",
"La",
"Li",
"Lu",
"Mg",
"Mn",
"M... | [
0.020035520600929783,
0.015119460376645149,
0.016455161750040467,
0.01471988191494299,
0.019411815976573155,
0.007292023938485292,
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0.01854021423291689,
0.006927535936592671,
0.03001479459063583,
0.02256656150848227,
0.0098049... | [
3
] | [
[
1,
1,
1
]
] | 62,451 | -55.887692 | 858.020731 | 0 | 0 | 0 | 0 | 62,451 | 0 | 62,451 | [
"Luis Barroso-Luque",
"Muhammed Shuaibi",
"Xiang Fu",
"Brandon M. Wood",
"Misko Dzamba",
"Meng Gao",
"Ammar Rizvi",
"C. Lawrence Zitnick",
"Zachary W. Ulissi"
] | The rattled-300 validation split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functional theory (DFT) calculations. The dataset is available in subdatasets and subsampled sub-datasets based on the structure generation strategy used. There are two main splits in OMat24: train and vali... | OMat24_validation_rattled_300__Barroso-Luque-Shuaibi-Fu-Wood-Dzamba-Gao-Rizvi-Zitnick-Ulissi__DS_mm4npn96qxo1_0 | CC-BY-4.0 | {'source-publication': 'https://doi.org/10.48550/arXiv.2410.12771', 'source-data': 'https://fair-chem.github.io/inorganic_materials/datasets/omat24.html', 'other': ['https://doi.org/10.1002/adma.202210788', 'https://huggingface.co/datasets/fairchem/OMAT24']} | 2025 | 10.60732/b3c0c67d | false | [
"DFT-PBE+U"
] | [
"VASP"
] | 2025-02-25T00:00:00 | 2025-02-25T00:00:00 |
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