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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.06857558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0004591,
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"updated_at": "2021-11-28T01:36:12.294000Z",
"spacegroup": 12
},
{
"id": "mp-1100147",
"created_at": "2022-09-04T14:42:50.812233Z",
"structure_string": "K1 Mg6 Ti1\n1.0\n3.325351 -5.639710 0.000000\n3.325351 5.639710 0.000000\n0.000000 0.000000 5.280924\nK Mg Ti\n1 6 1\ndirect\n0.583667 0.416333 0.500000 K\n0.930120 0.593053 0.000000 Mg\n0.406947 0.069880 0.000000 Mg\n0.406311 0.593689 0.000000 Mg\n0.608366 0.928167 0.500000 Mg\n0.071833 0.391634 0.500000 Mg\n0.076621 0.923379 0.500000 Mg\n0.916136 0.083864 0.000000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ti"
],
"chemical_system": "K-Mg-Ti",
"density": 1.9515924377530816,
"density_atomic": 0.04038832182732934,
"volume": 198.07705886375018,
"volume_molar": 14.910599122553865,
"formula_full": "K1 Mg6 Ti1",
"formula_reduced": "KMg6Ti",
"formula_anonymous": "ABC6",
"energy": -16.54448532,
"energy_per_atom": -2.068060665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.54448532,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.2975079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.989000Z",
"spacegroup": 38
},
{
"id": "mp-1372851",
"created_at": "2022-09-04T14:42:50.716473Z",
"structure_string": "Mg6 Bi4 O14\n1.0\n2.841026 -9.790433 0.000000\n2.841026 9.790433 0.000000\n0.000000 0.000000 5.648485\nMg Bi O\n6 4 14\ndirect\n0.738822 0.738822 0.259319 Mg\n0.261178 0.261178 0.759319 Mg\n0.003725 0.591403 0.207273 Mg\n0.996275 0.408597 0.707273 Mg\n0.591403 0.003725 0.207273 Mg\n0.408597 0.996275 0.707273 Mg\n0.157633 0.366969 0.251622 Bi\n0.842367 0.633031 0.751622 Bi\n0.633031 0.842367 0.751622 Bi\n0.366969 0.157633 0.251622 Bi\n0.339772 0.921633 0.340981 O\n0.660228 0.078367 0.840981 O\n0.078367 0.660228 0.840981 O\n0.921633 0.339772 0.340981 O\n0.552462 0.260892 0.920502 O\n0.447538 0.739108 0.420502 O\n0.739108 0.447538 0.420502 O\n0.260892 0.552462 0.920502 O\n0.991633 0.837628 0.095366 O\n0.008367 0.162372 0.595366 O\n0.417280 0.417280 0.089191 O\n0.582720 0.582720 0.589191 O\n0.837628 0.991633 0.095366 O\n0.162372 0.008367 0.595366 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 6.371839610713438,
"density_atomic": 0.07637868172749322,
"volume": 314.2238050877615,
"volume_molar": 7.884583268255434,
"formula_full": "Mg6 Bi4 O14",
"formula_reduced": "Mg3Bi2O7",
"formula_anonymous": "A2B3C7",
"energy": -146.11638166,
"energy_per_atom": -6.0881825691666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.49838166,
"band_gap": 0.0317999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.870000Z",
"spacegroup": 36
}
]
}