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"created_at": "2022-09-04T14:48:14.161102Z",
"structure_string": "Sb8 O16\n1.0\n0.000000 5.293020 5.293020\n5.293020 0.000000 5.293020\n5.293020 5.293020 0.000000\nSb O\n8 16\ndirect\n0.625000 0.625000 0.125000 Sb\n0.625000 0.125000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.625000 0.625000 0.625000 Sb\n0.125000 0.125000 0.625000 Sb\n0.125000 0.625000 0.125000 Sb\n0.625000 0.125000 0.125000 Sb\n0.125000 0.125000 0.125000 Sb\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.270776 0.729224 0.270776 O\n0.520776 0.979224 0.520776 O\n0.270776 0.270776 0.729224 O\n0.729224 0.270776 0.270776 O\n0.729224 0.270776 0.729224 O\n0.979224 0.520776 0.520776 O\n0.520776 0.979224 0.979224 O\n0.979224 0.520776 0.979224 O\n0.520776 0.520776 0.979224 O\n0.979224 0.979224 0.520776 O\n0.729224 0.729224 0.270776 O\n0.270776 0.729224 0.729224 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 6.887132917722102,
"density_atomic": 0.08092275149978727,
"volume": 296.57913942858323,
"volume_molar": 7.441838850494143,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -148.14385105,
"energy_per_atom": -6.172660460416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.15185105,
"band_gap": 0.4339999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.679000Z",
"spacegroup": 227
}
]
}