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{
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{
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{
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{
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"is_magnetic": false,
"total_magnetization": 1.78e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.622000Z",
"spacegroup": 164
},
{
"id": "mp-1043303",
"created_at": "2022-09-04T14:47:10.239996Z",
"structure_string": "Fe4 Cu3 O12\n1.0\n-3.676345 3.676345 3.676345\n3.676345 -3.676345 3.676345\n3.676345 3.676345 -3.676345\nFe Cu O\n4 3 12\ndirect\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.319243 0.143703 0.824461 O\n0.680757 0.856297 0.175539 O\n0.680757 0.505218 0.824461 O\n0.494782 0.175539 0.319243 O\n0.175539 0.319243 0.494782 O\n0.824461 0.319243 0.143703 O\n0.856297 0.175539 0.680757 O\n0.824461 0.680757 0.505218 O\n0.319243 0.494782 0.175539 O\n0.505218 0.824461 0.680757 O\n0.175539 0.680757 0.856297 O\n0.143703 0.824461 0.319243 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 5.063148782718509,
"density_atomic": 0.09559712445865988,
"volume": 198.75074807523504,
"volume_molar": 6.29949990033876,
"formula_full": "Fe4 Cu3 O12",
"formula_reduced": "Fe4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy": -127.29251856,
"energy_per_atom": -6.6996062400000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.02451856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9973042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.618000Z",
"spacegroup": 204
}
]
}