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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.42148089,
"band_gap": 2.1328,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.137000Z",
"spacegroup": 11
},
{
"id": "mp-763068",
"created_at": "2022-09-04T14:44:07.183014Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.807467 0.000000 0.000000\n0.000000 6.504817 0.000000\n0.000000 0.034700 9.610524\nFe O F\n8 2 14\ndirect\n0.985562 0.394035 0.634530 Fe\n0.986052 0.869541 0.628523 Fe\n0.017256 0.376351 0.132600 Fe\n0.001092 0.873001 0.121568 Fe\n0.485562 0.605965 0.365470 Fe\n0.486052 0.130459 0.371477 Fe\n0.517256 0.623649 0.867400 Fe\n0.501092 0.126999 0.878432 Fe\n0.808395 0.611695 0.717819 O\n0.308395 0.388305 0.282181 O\n0.796839 0.630600 0.229026 F\n0.802649 0.117501 0.227840 F\n0.799705 0.142398 0.722642 F\n0.714946 0.386343 0.473458 F\n0.684550 0.860210 0.467623 F\n0.705431 0.371717 0.981633 F\n0.697522 0.876652 0.976059 F\n0.299705 0.857602 0.277358 F\n0.296839 0.369400 0.770974 F\n0.302649 0.882499 0.772160 F\n0.197522 0.123348 0.023941 F\n0.214946 0.613657 0.526542 F\n0.184550 0.139790 0.532377 F\n0.205431 0.628283 0.018367 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.114842741216776,
"density_atomic": 0.07985696107488846,
"volume": 300.5373567558277,
"volume_molar": 7.541159441758047,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy": -162.39206776999998,
"energy_per_atom": -6.766336157083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -136.50206777,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 34.0002294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.658000Z",
"spacegroup": 4
}
]
}