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"is_magnetic": true,
"total_magnetization": 1.4088806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.981000Z",
"spacegroup": 221
},
{
"id": "mp-763484",
"created_at": "2022-09-04T14:41:00.526873Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.806399 0.000000 0.000000\n0.000000 5.812556 0.000000\n0.000000 1.520285 10.806885\nFe O F\n8 2 14\ndirect\n0.514342 0.132932 0.374634 Fe\n0.487548 0.626705 0.868016 Fe\n0.481035 0.396290 0.630631 Fe\n0.503111 0.877944 0.123936 Fe\n0.987548 0.373295 0.131984 Fe\n0.981035 0.603710 0.369369 Fe\n0.014342 0.867068 0.625366 Fe\n0.003111 0.122056 0.876064 Fe\n0.809376 0.362198 0.308658 O\n0.309376 0.637802 0.691342 O\n0.794415 0.594593 0.539117 F\n0.804536 0.848181 0.800302 F\n0.800357 0.099948 0.049114 F\n0.700414 0.604883 0.046148 F\n0.709211 0.847705 0.301294 F\n0.702494 0.340690 0.790117 F\n0.693163 0.113579 0.562248 F\n0.300357 0.900052 0.950886 F\n0.294415 0.405407 0.460883 F\n0.304536 0.151819 0.199698 F\n0.209211 0.152295 0.698706 F\n0.200414 0.395117 0.953852 F\n0.202494 0.659310 0.209883 F\n0.193163 0.886421 0.437752 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.096040140466781,
"density_atomic": 0.07949205805170388,
"volume": 301.9169535702513,
"volume_molar": 7.575776634293491,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy": -162.43881141999998,
"energy_per_atom": -6.7682838091666655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.54881142,
"band_gap": 1.7312,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.9995938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.089000Z",
"spacegroup": 4
}
]
}