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{
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{
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{
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{
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{
"id": "mp-1102645",
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{
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{
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{
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"id": "mp-1215370",
"created_at": "2022-09-04T14:40:42.823900Z",
"structure_string": "Zr4 Cu1 S8\n1.0\n0.000000 5.249966 5.249966\n5.249966 0.000000 5.249966\n5.249966 5.249966 0.000000\nZr Cu S\n4 1 8\ndirect\n0.617606 0.127465 0.127465 Zr\n0.127465 0.617606 0.127465 Zr\n0.127465 0.127465 0.617606 Zr\n0.127465 0.127465 0.127465 Zr\n0.750000 0.750000 0.750000 Cu\n0.367283 0.877572 0.877572 S\n0.877572 0.367283 0.877572 S\n0.877572 0.877572 0.367283 S\n0.877572 0.877572 0.877572 S\n0.886410 0.371197 0.371197 S\n0.371197 0.886410 0.371197 S\n0.371197 0.371197 0.886410 S\n0.371197 0.371197 0.371197 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-S-Zr",
"density": 3.930213181641799,
"density_atomic": 0.044920427857725986,
"volume": 289.40062728641385,
"volume_molar": 13.406240873469855,
"formula_full": "Zr4 Cu1 S8",
"formula_reduced": "Zr4CuS8",
"formula_anonymous": "AB4C8",
"energy": -93.67634115,
"energy_per_atom": -7.205872396153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.65234115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.845000Z",
"spacegroup": 216
}
]
}