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{
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{
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"created_at": "2022-09-04T14:39:21.391593Z",
"structure_string": "Y12 Co4\n1.0\n6.314404 0.000000 0.000000\n0.000000 7.015783 0.000000\n0.000000 0.000000 9.482838\nY Co\n12 4\ndirect\n0.325169 0.675555 0.067365 Y\n0.174831 0.175555 0.432635 Y\n0.674831 0.324445 0.567365 Y\n0.825169 0.824445 0.932635 Y\n0.674831 0.324445 0.932635 Y\n0.825169 0.824445 0.567365 Y\n0.325169 0.675555 0.432635 Y\n0.174831 0.175555 0.067365 Y\n0.862759 0.543666 0.250000 Y\n0.637241 0.043666 0.250000 Y\n0.137241 0.456334 0.750000 Y\n0.362759 0.956334 0.750000 Y\n0.047732 0.888263 0.250000 Co\n0.452268 0.388263 0.250000 Co\n0.952268 0.111737 0.750000 Co\n0.547732 0.611737 0.750000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Co-Y",
"density": 5.148898383530766,
"density_atomic": 0.03808668189630487,
"volume": 420.0943532850076,
"volume_molar": 15.811670799771777,
"formula_full": "Y12 Co4",
"formula_reduced": "Y3Co",
"formula_anonymous": "AB3",
"energy": -108.33819804,
"energy_per_atom": -6.7711373775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.33819804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.478000Z",
"spacegroup": 62
},
{
"id": "mp-1189329",
"created_at": "2022-09-04T14:40:54.654251Z",
"structure_string": "Y12 Co4\n1.0\n9.496347 0.000000 0.000000\n0.000000 6.338302 0.000000\n0.000000 0.000711 7.012687\nY Co\n12 4\ndirect\n0.489344 0.366808 0.042892 Y\n0.487868 0.141588 0.546194 Y\n0.989344 0.633192 0.957108 Y\n0.987868 0.858412 0.453806 Y\n0.303912 0.823581 0.175045 Y\n0.668569 0.685493 0.677153 Y\n0.803912 0.176419 0.824955 Y\n0.168569 0.314507 0.322847 Y\n0.305359 0.673208 0.671029 Y\n0.668549 0.832787 0.174092 Y\n0.805359 0.326792 0.328971 Y\n0.168549 0.167213 0.825908 Y\n0.500013 0.543510 0.388399 Co\n0.487543 0.957912 0.889862 Co\n0.000013 0.456490 0.611601 Co\n0.987543 0.042088 0.110138 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Co-Y",
"density": 5.1244493619122355,
"density_atomic": 0.03790583115121358,
"volume": 422.09864588308204,
"volume_molar": 15.887109125708218,
"formula_full": "Y12 Co4",
"formula_reduced": "Y3Co",
"formula_anonymous": "AB3",
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"energy_per_atom": -6.76958088125,
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"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.3132941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.292000Z",
"spacegroup": 4
}
]
}