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{
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{
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{
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{
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"id": "mp-865201",
"created_at": "2022-09-04T14:40:20.336963Z",
"structure_string": "Lu4 Ni20 Sn4\n1.0\n4.822425 0.000000 0.000000\n0.000000 7.990341 0.000000\n0.000000 0.000000 10.205995\nLu Ni Sn\n4 20 4\ndirect\n0.750000 0.246427 0.560613 Lu\n0.250000 0.253573 0.060613 Lu\n0.750000 0.746427 0.939387 Lu\n0.250000 0.753573 0.439387 Lu\n0.750000 0.913526 0.482883 Ni\n0.250000 0.586474 0.982883 Ni\n0.750000 0.413526 0.017117 Ni\n0.250000 0.086474 0.517117 Ni\n0.250000 0.188975 0.742146 Ni\n0.750000 0.311025 0.242146 Ni\n0.250000 0.688975 0.757854 Ni\n0.750000 0.811025 0.257854 Ni\n0.750000 0.546824 0.402430 Ni\n0.250000 0.953176 0.902430 Ni\n0.750000 0.046824 0.097570 Ni\n0.250000 0.453176 0.597570 Ni\n0.498709 0.066503 0.309260 Ni\n0.501291 0.433497 0.809260 Ni\n0.001291 0.566503 0.190740 Ni\n0.998709 0.933497 0.690740 Ni\n0.501291 0.933497 0.690740 Ni\n0.498709 0.566503 0.190740 Ni\n0.998709 0.433497 0.809260 Ni\n0.001291 0.066503 0.309260 Ni\n0.750000 0.639376 0.639401 Sn\n0.250000 0.860624 0.139401 Sn\n0.750000 0.139376 0.860599 Sn\n0.250000 0.360624 0.360599 Sn\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 9.916708988540083,
"density_atomic": 0.07119867050997447,
"volume": 393.26577026571556,
"volume_molar": 8.458220802249864,
"formula_full": "Lu4 Ni20 Sn4",
"formula_reduced": "LuNi5Sn",
"formula_anonymous": "ABC5",
"energy": -160.38216097,
"energy_per_atom": -5.727934320357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.38216097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0105512,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.169000Z",
"spacegroup": 62
}
]
}