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"id": "mp-1044097",
"created_at": "2022-09-04T14:46:55.488398Z",
"structure_string": "Zn4 Ag4 Bi4 O20\n1.0\n10.662192 0.000000 0.000000\n0.000000 5.474244 0.000000\n0.000000 3.978088 8.205654\nZn Ag Bi O\n4 4 4 20\ndirect\n0.081360 0.595201 0.834224 Zn\n0.918640 0.404799 0.165776 Zn\n0.581360 0.404799 0.665776 Zn\n0.418640 0.595201 0.334224 Zn\n0.381734 0.285592 0.021492 Ag\n0.618266 0.714408 0.978508 Ag\n0.881734 0.714408 0.478508 Ag\n0.118266 0.285592 0.521492 Ag\n0.887450 0.016030 0.858098 Bi\n0.112550 0.983970 0.141902 Bi\n0.612550 0.016030 0.358098 Bi\n0.387450 0.983970 0.641902 Bi\n0.935786 0.807503 0.723621 O\n0.968881 0.366477 0.647162 O\n0.809029 0.081309 0.309550 O\n0.454215 0.754483 0.513185 O\n0.703945 0.693299 0.572359 O\n0.796055 0.693299 0.072359 O\n0.531119 0.366477 0.147162 O\n0.468881 0.633523 0.852838 O\n0.545785 0.245517 0.486815 O\n0.435786 0.192497 0.776379 O\n0.296055 0.306701 0.427641 O\n0.064214 0.192497 0.276379 O\n0.564214 0.807503 0.223621 O\n0.203945 0.306701 0.927641 O\n0.954215 0.245517 0.986815 O\n0.045785 0.754483 0.013185 O\n0.190971 0.918691 0.690450 O\n0.031119 0.633523 0.352838 O\n0.309029 0.918691 0.190450 O\n0.690971 0.081309 0.809550 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O-Zn",
"density": 6.410715148102351,
"density_atomic": 0.06681379310445473,
"volume": 478.9430222884089,
"volume_molar": 9.013319675751923,
"formula_full": "Zn4 Ag4 Bi4 O20",
"formula_reduced": "ZnAgBiO5",
"formula_anonymous": "ABCD5",
"energy": -163.35530582,
"energy_per_atom": -5.104853306875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.61530582,
"band_gap": 0.3505999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.565000Z",
"spacegroup": 14
}
]
}