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"id": "mp-768156",
"created_at": "2022-09-04T14:41:02.564492Z",
"structure_string": "Li28 Sb8 S8\n1.0\n7.516879 0.000000 0.000000\n0.000000 8.699991 0.000000\n0.000000 0.000000 13.190950\nLi Sb S\n28 8 8\ndirect\n0.169286 0.507614 0.543798 Li\n0.169286 0.992386 0.543798 Li\n0.758128 0.250000 0.584908 Li\n0.811293 0.750000 0.613174 Li\n0.051034 0.250000 0.685275 Li\n0.584627 0.471658 0.708111 Li\n0.584627 0.028342 0.708111 Li\n0.084627 0.528342 0.791889 Li\n0.084627 0.971658 0.791889 Li\n0.551034 0.750000 0.814725 Li\n0.311293 0.250000 0.886826 Li\n0.258128 0.750000 0.915092 Li\n0.669286 0.492386 0.956202 Li\n0.669286 0.007614 0.956202 Li\n0.330714 0.507614 0.043798 Li\n0.330714 0.992386 0.043798 Li\n0.741872 0.250000 0.084908 Li\n0.688707 0.750000 0.113174 Li\n0.448966 0.250000 0.185275 Li\n0.915373 0.471658 0.208111 Li\n0.915373 0.028342 0.208111 Li\n0.415373 0.528342 0.291889 Li\n0.415373 0.971658 0.291889 Li\n0.948966 0.750000 0.314725 Li\n0.188707 0.250000 0.386826 Li\n0.241872 0.750000 0.415092 Li\n0.830714 0.492386 0.456202 Li\n0.830714 0.007614 0.456202 Li\n0.426709 0.750000 0.599372 Sb\n0.395631 0.250000 0.586448 Sb\n0.895631 0.750000 0.913552 Sb\n0.926709 0.250000 0.900628 Sb\n0.073291 0.750000 0.099372 Sb\n0.104369 0.250000 0.086448 Sb\n0.604369 0.750000 0.413552 Sb\n0.573291 0.250000 0.400628 Sb\n0.898717 0.017632 0.639712 S\n0.898717 0.482368 0.639712 S\n0.398717 0.982368 0.860288 S\n0.398717 0.517632 0.860288 S\n0.601283 0.017632 0.139712 S\n0.601283 0.482368 0.139712 S\n0.101283 0.982368 0.360288 S\n0.101283 0.517632 0.360288 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.742936013767556,
"density_atomic": 0.05100587938344107,
"volume": 862.6456504989598,
"volume_molar": 11.806758030242047,
"formula_full": "Li28 Sb8 S8",
"formula_reduced": "Li7(SbS)2",
"formula_anonymous": "A2B2C7",
"energy": -163.33221747,
"energy_per_atom": -3.712095851590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.77221747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.299000Z",
"spacegroup": 62
}
]
}