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"formation_energy_per_atom": null,
"energy_uncorrected": -54.49321789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0043463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.187000Z",
"spacegroup": 62
},
{
"id": "mp-756941",
"created_at": "2022-09-04T14:42:56.636735Z",
"structure_string": "Li4 Fe4 O12\n1.0\n4.900580 0.000000 0.000000\n0.000000 4.972526 0.000000\n0.000000 0.000000 8.119357\nLi Fe O\n4 4 12\ndirect\n0.000000 0.750000 0.696879 Li\n0.500000 0.750000 0.803121 Li\n0.000000 0.250000 0.303121 Li\n0.500000 0.250000 0.196879 Li\n0.000000 0.750000 0.095420 Fe\n0.500000 0.750000 0.404580 Fe\n0.000000 0.250000 0.904580 Fe\n0.500000 0.250000 0.595420 Fe\n0.250000 0.903152 0.250000 O\n0.304225 0.928680 0.580897 O\n0.195775 0.928680 0.919103 O\n0.695775 0.071320 0.419103 O\n0.804225 0.071320 0.080897 O\n0.750000 0.096848 0.750000 O\n0.250000 0.403152 0.750000 O\n0.195775 0.428680 0.080897 O\n0.304225 0.428680 0.419103 O\n0.804225 0.571320 0.919103 O\n0.695775 0.571320 0.580897 O\n0.750000 0.596848 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.7191246250960748,
"density_atomic": 0.10108432431723453,
"volume": 197.85461430432758,
"volume_molar": 5.95754168678085,
"formula_full": "Li4 Fe4 O12",
"formula_reduced": "LiFeO3",
"formula_anonymous": "ABC3",
"energy": -129.21826679,
"energy_per_atom": -6.4609133395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.95026679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.082027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.059000Z",
"spacegroup": 52
}
]
}