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"updated_at": "2021-11-28T01:37:34.020000Z",
"spacegroup": 227
},
{
"id": "mp-559482",
"created_at": "2022-09-04T14:46:16.461825Z",
"structure_string": "Ti4 Bi4 O14\n1.0\n0.000000 5.206548 5.206548\n5.206548 0.000000 5.206548\n5.206548 5.206548 0.000000\nTi Bi O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.625000 Ti\n0.125000 0.125000 0.125000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.625000 0.625000 Bi\n0.125000 0.625000 0.625000 Bi\n0.625000 0.125000 0.625000 Bi\n0.625000 0.625000 0.125000 Bi\n0.198820 0.801180 0.801180 O\n0.801180 0.198820 0.801180 O\n0.500000 0.500000 0.500000 O\n0.051180 0.448820 0.448820 O\n0.801180 0.801180 0.198820 O\n0.801180 0.198820 0.198820 O\n0.198820 0.801180 0.198820 O\n0.448820 0.051180 0.448820 O\n0.448820 0.051180 0.051180 O\n0.198820 0.198820 0.801180 O\n0.051180 0.448820 0.051180 O\n0.051180 0.051180 0.448820 O\n0.448820 0.448820 0.051180 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.361377648399727,
"density_atomic": 0.07793688708388934,
"volume": 282.27968582219285,
"volume_molar": 7.726945462317372,
"formula_full": "Ti4 Bi4 O14",
"formula_reduced": "Ti2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy": -174.38336397999998,
"energy_per_atom": -7.9265165445454535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.76536398,
"band_gap": 2.5276999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.215000Z",
"spacegroup": 227
}
]
}