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{
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{
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{
"id": "mp-17194",
"created_at": "2022-09-04T14:43:14.431069Z",
"structure_string": "Er2 Cu2 W4 O16\n1.0\n5.984533 0.000000 0.000000\n0.000000 5.081661 0.000000\n0.000000 4.591694 9.979072\nEr Cu W O\n2 2 4 16\ndirect\n0.334064 0.000000 0.750000 Er\n0.665936 0.000000 0.250000 Er\n0.716131 0.500000 0.750000 Cu\n0.283869 0.500000 0.250000 Cu\n0.169015 0.762183 0.488960 W\n0.830985 0.237817 0.511040 W\n0.169015 0.237817 0.011040 W\n0.830985 0.762183 0.988960 W\n0.360990 0.731289 0.363483 O\n0.360990 0.268711 0.136517 O\n0.639010 0.268711 0.636517 O\n0.639010 0.731289 0.863483 O\n0.910370 0.161712 0.889298 O\n0.910370 0.838288 0.610702 O\n0.089630 0.838288 0.110702 O\n0.089630 0.161712 0.389298 O\n0.634334 0.216520 0.387795 O\n0.634334 0.783480 0.112205 O\n0.365666 0.783480 0.612205 O\n0.365666 0.216520 0.887795 O\n0.885428 0.660597 0.402764 O\n0.114572 0.339403 0.597236 O\n0.885428 0.339403 0.097236 O\n0.114572 0.660597 0.902764 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Er",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-Er-O-W",
"density": 7.950176371928906,
"density_atomic": 0.07908336308980306,
"volume": 303.47723038468683,
"volume_molar": 7.614927495131389,
"formula_full": "Er2 Cu2 W4 O16",
"formula_reduced": "ErCu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -205.60635789,
"energy_per_atom": -8.56693157875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.86235789,
"band_gap": 1.0878999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.832000Z",
"spacegroup": 13
}
]
}