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"formula_reduced": "Co(BiO3)2",
"formula_anonymous": "AB2C6",
"energy": -54.04563239000001,
"energy_per_atom": -6.005070265555556,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.28563239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.680000Z",
"spacegroup": 99
},
{
"id": "mp-1188346",
"created_at": "2022-09-04T14:39:25.065098Z",
"structure_string": "Co4 Bi4 O12\n1.0\n5.365408 0.000000 0.000000\n0.000000 5.508628 0.000000\n0.000000 0.000000 7.629159\nCo Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.510076 0.554031 0.250000 Bi\n0.989924 0.054031 0.250000 Bi\n0.489924 0.445969 0.750000 Bi\n0.010076 0.945969 0.750000 Bi\n0.416697 0.976521 0.250000 O\n0.083303 0.476521 0.250000 O\n0.583303 0.023479 0.750000 O\n0.916697 0.523479 0.750000 O\n0.795492 0.792982 0.041582 O\n0.704508 0.292982 0.458418 O\n0.204508 0.207018 0.541582 O\n0.295492 0.707018 0.958418 O\n0.204508 0.207018 0.958418 O\n0.295492 0.707018 0.541582 O\n0.795492 0.792982 0.458418 O\n0.704508 0.292982 0.041582 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-O",
"density": 9.305764679617505,
"density_atomic": 0.08869663255127806,
"volume": 225.4877037010106,
"volume_molar": 6.789593456683295,
"formula_full": "Co4 Bi4 O12",
"formula_reduced": "CoBiO3",
"formula_anonymous": "ABC3",
"energy": -131.00301454,
"energy_per_atom": -6.550150727,
"energy_above_hull": null,
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"energy_uncorrected": -116.20701454,
"band_gap": 0.3878000000000003,
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"is_magnetic": true,
"total_magnetization": 8.0020524,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.698000Z",
"spacegroup": 62
}
]
}