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"id": "mp-1232112",
"created_at": "2022-09-04T14:46:22.713658Z",
"structure_string": "Tb4 Mg2 S8\n1.0\n0.000000 5.615821 5.615821\n5.615821 0.000000 5.615821\n5.615821 5.615821 0.000000\nTb Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.125000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.879405 0.879405 0.879405 S\n0.361786 0.879405 0.879405 S\n0.879405 0.361786 0.879405 S\n0.879405 0.879405 0.361786 S\n0.370595 0.370595 0.888214 S\n0.370595 0.888214 0.370595 S\n0.888214 0.370595 0.370595 S\n0.370595 0.370595 0.370595 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 4.410533606993211,
"density_atomic": 0.03952376154121079,
"volume": 354.21729749589815,
"volume_molar": 15.236760179622102,
"formula_full": "Tb4 Mg2 S8",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy": -85.10140485,
"energy_per_atom": -6.078671774999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.07740485,
"band_gap": 1.8836,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.075000Z",
"spacegroup": 227
}
]
}