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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.585000Z",
"spacegroup": 216
},
{
"id": "mp-1522941",
"created_at": "2022-09-04T14:44:11.453459Z",
"structure_string": "Ca4 Eu4 Al4 Bi4 O24\n1.0\n8.791781 0.000000 0.000000\n0.000000 8.749250 0.000000\n0.000000 0.000000 8.548773\nCa Eu Al Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n-0.000000 0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 0.000000 -0.000000 Eu\n-0.000000 0.500000 -0.000000 Eu\n0.749316 0.754160 0.745419 Al\n0.250684 0.245840 0.745419 Al\n0.250684 0.754160 0.254581 Al\n0.749316 0.245840 0.254581 Al\n0.249782 0.240216 0.261059 Bi\n0.750218 0.759784 0.261059 Bi\n0.750218 0.240216 0.738941 Bi\n0.249782 0.759784 0.738941 Bi\n0.983086 0.221850 0.275869 O\n0.016914 0.778150 0.275869 O\n0.016914 0.221850 0.724132 O\n0.983086 0.778150 0.724132 O\n0.277815 0.984829 0.217958 O\n0.277815 0.015171 0.782042 O\n0.722185 0.015171 0.217958 O\n0.722185 0.984829 0.782042 O\n0.223866 0.275264 0.982184 O\n0.776134 0.275264 0.017816 O\n0.223866 0.724736 0.017816 O\n0.776134 0.724736 0.982184 O\n0.518789 0.277853 0.221569 O\n0.481211 0.722147 0.221569 O\n0.481211 0.277853 0.778431 O\n0.518789 0.722147 0.778431 O\n0.225186 0.518546 0.275949 O\n0.225186 0.481454 0.724051 O\n0.774814 0.481454 0.275949 O\n0.774814 0.518546 0.724051 O\n0.279249 0.224465 0.513196 O\n0.720751 0.224465 0.486804 O\n0.279249 0.775535 0.486804 O\n0.720751 0.775535 0.513196 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-Eu-O",
"density": 5.29284509333011,
"density_atomic": 0.06082869768573909,
"volume": 657.5843560987128,
"volume_molar": 9.900163885001032,
"formula_full": "Ca4 Eu4 Al4 Bi4 O24",
"formula_reduced": "CaEuAlBiO6",
"formula_anonymous": "ABCDE6",
"energy": -286.70700335,
"energy_per_atom": -7.16767508375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.21900335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1174548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.576000Z",
"spacegroup": 16
}
]
}