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"id": "mp-1048799",
"created_at": "2022-09-04T14:42:49.377280Z",
"structure_string": "Y4 Cu6 O12\n1.0\n12.094047 0.000000 0.000000\n0.000000 3.559955 0.000000\n0.000000 1.750929 8.607381\nY Cu O\n4 6 12\ndirect\n0.007116 0.331885 0.846243 Y\n0.989321 0.015052 0.472665 Y\n0.507116 0.668115 0.153757 Y\n0.489321 0.984948 0.527335 Y\n0.750493 0.212611 0.068369 Cu\n0.735077 0.542773 0.412245 Cu\n0.764688 0.892722 0.717628 Cu\n0.250493 0.787389 0.931631 Cu\n0.264688 0.107278 0.282372 Cu\n0.235077 0.457227 0.587755 Cu\n0.392643 0.759928 0.954651 O\n0.411533 0.109152 0.273893 O\n0.383626 0.456016 0.584424 O\n0.892643 0.240072 0.045349 O\n0.883626 0.543984 0.415576 O\n0.911533 0.890848 0.726107 O\n0.108348 0.799316 0.911803 O\n0.120848 0.104493 0.293414 O\n0.085533 0.452930 0.598036 O\n0.608348 0.200684 0.088197 O\n0.585533 0.547070 0.401964 O\n0.620848 0.895507 0.706586 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 4.162241030649579,
"density_atomic": 0.059365686372454214,
"volume": 370.5844460716627,
"volume_molar": 10.144144080500826,
"formula_full": "Y4 Cu6 O12",
"formula_reduced": "Y2(CuO2)3",
"formula_anonymous": "A2B3C6",
"energy": -153.998865,
"energy_per_atom": -6.9999484090909085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.754865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0068268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.837000Z",
"spacegroup": 4
}
]
}