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{
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"created_at": "2022-09-04T14:41:57.926469Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.609586 -7.984037 0.000000\n4.609586 7.984037 0.000000\n0.000000 0.000000 6.216481\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387551 0.000000 0.750000 U\n0.387551 0.387551 0.250000 U\n0.000000 0.612449 0.250000 U\n0.000000 0.387551 0.750000 U\n0.612449 0.612449 0.750000 U\n0.612449 0.000000 0.250000 U\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Sb\n0.731097 0.000000 0.750000 Sb\n0.731097 0.731097 0.250000 Sb\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.000000 Sb\n0.268903 0.000000 0.250000 Sb\n0.268903 0.268903 0.750000 Sb\n0.000000 0.731097 0.750000 Sb\n0.000000 0.268903 0.250000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"U",
"Sb"
],
"chemical_system": "Sb-Sc-U",
"density": 9.927871849800844,
"density_atomic": 0.03933810507178431,
"volume": 457.57160816855657,
"volume_molar": 15.308670178725631,
"formula_full": "Sc2 U6 Sb10",
"formula_reduced": "ScU3Sb5",
"formula_anonymous": "AB3C5",
"energy": -132.09142928,
"energy_per_atom": -7.3384127377777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.17142928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9517917,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.469000Z",
"spacegroup": 193
}
]
}