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{
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{
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{
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"id": "mp-1222839",
"created_at": "2022-09-04T14:42:44.734874Z",
"structure_string": "La1 U1 Te6\n1.0\n2.207481 -12.930968 0.000000\n2.207481 12.930968 0.000000\n0.000000 0.000000 4.424176\nLa U Te\n1 1 6\ndirect\n0.831262 0.168738 0.000000 La\n0.165660 0.834340 0.500000 U\n0.575922 0.424078 0.500000 Te\n0.430081 0.569919 0.000000 Te\n0.290999 0.709001 0.500000 Te\n0.699918 0.300082 0.000000 Te\n0.930330 0.069670 0.500000 Te\n0.075828 0.924172 0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.511522498490211,
"density_atomic": 0.03167375729976535,
"volume": 252.57502367927998,
"volume_molar": 19.013029313211963,
"formula_full": "La1 U1 Te6",
"formula_reduced": "LaUTe6",
"formula_anonymous": "ABC6",
"energy": -44.102981490000005,
"energy_per_atom": -5.512872686250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.57098149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4844278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.155000Z",
"spacegroup": 38
}
]
}