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{
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{
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{
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"structure_string": "Li2 Mg6\n1.0\n3.148079 -5.452633 0.000000\n3.148079 5.452633 0.000000\n0.000000 0.000000 5.122862\nLi Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.831591 0.168409 0.250000 Mg\n0.831591 0.663181 0.250000 Mg\n0.336819 0.168409 0.250000 Mg\n0.663181 0.831591 0.750000 Mg\n0.168409 0.831591 0.750000 Mg\n0.168409 0.336819 0.750000 Mg\n",
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"id": "mp-973615",
"created_at": "2022-09-04T14:39:59.535484Z",
"structure_string": "Lu2 Sb6\n1.0\n3.267968 -5.660287 0.000000\n3.267968 5.660287 0.000000\n0.000000 0.000000 5.794730\nLu Sb\n2 6\ndirect\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n0.824389 0.175611 0.750000 Sb\n0.351222 0.175611 0.750000 Sb\n0.824389 0.648778 0.750000 Sb\n0.175611 0.824389 0.250000 Sb\n0.648778 0.824389 0.250000 Sb\n0.175611 0.351222 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Sb"
],
"chemical_system": "Lu-Sb",
"density": 8.369355367133101,
"density_atomic": 0.03731732789539205,
"volume": 214.37762163533262,
"volume_molar": 16.137652666024927,
"formula_full": "Lu2 Sb6",
"formula_reduced": "LuSb3",
"formula_anonymous": "AB3",
"energy": -37.38214077,
"energy_per_atom": -4.67276759625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.23014077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0561987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.553000Z",
"spacegroup": 194
}
]
}