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{
"id": "mp-540872",
"created_at": "2022-09-04T14:41:08.632143Z",
"structure_string": "Ag4 Sb4 O12\n1.0\n0.000000 5.211863 5.211863\n5.211863 0.000000 5.211863\n5.211863 5.211863 0.000000\nAg Sb O\n4 4 12\ndirect\n0.625000 0.125000 0.125000 Ag\n0.125000 0.625000 0.125000 Ag\n0.125000 0.125000 0.625000 Ag\n0.125000 0.125000 0.125000 Ag\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.700650 0.700650 0.299350 O\n0.299350 0.299350 0.700650 O\n0.700650 0.299350 0.700650 O\n0.299350 0.700650 0.299350 O\n0.299350 0.700650 0.700650 O\n0.700650 0.299350 0.299350 O\n0.549350 0.549350 0.950650 O\n0.950650 0.950650 0.549350 O\n0.549350 0.950650 0.549350 O\n0.950650 0.549350 0.950650 O\n0.950650 0.549350 0.549350 O\n0.549350 0.950650 0.950650 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-O-Sb",
"density": 6.512697115240278,
"density_atomic": 0.07063517512883613,
"volume": 283.14504725897103,
"volume_molar": 8.525696650451877,
"formula_full": "Ag4 Sb4 O12",
"formula_reduced": "AgSbO3",
"formula_anonymous": "ABC3",
"energy": -115.67974362,
"energy_per_atom": -5.783987181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.43574362,
"band_gap": 0.0945999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.253000Z",
"spacegroup": 227
}
]
}