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{
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{
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"id": "mp-1103226",
"created_at": "2022-09-04T14:45:36.407232Z",
"structure_string": "Tb4 S8\n1.0\n3.923060 0.000000 0.000000\n0.000000 7.859106 0.000000\n0.000000 0.017953 7.950182\nTb S\n4 8\ndirect\n0.284590 0.628852 0.725100 Tb\n0.784590 0.871148 0.274900 Tb\n0.715410 0.371148 0.274900 Tb\n0.215410 0.128852 0.725100 Tb\n0.259870 0.625206 0.368533 S\n0.759870 0.874794 0.631467 S\n0.740130 0.374794 0.631467 S\n0.240130 0.125206 0.368533 S\n0.836370 0.610964 0.997166 S\n0.336370 0.889036 0.002834 S\n0.163630 0.389036 0.002834 S\n0.663630 0.110964 0.997166 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"S"
],
"chemical_system": "S-Tb",
"density": 6.044307705994001,
"density_atomic": 0.04895601716994573,
"volume": 245.11797923313995,
"volume_molar": 12.30112478123938,
"formula_full": "Tb4 S8",
"formula_reduced": "TbS2",
"formula_anonymous": "AB2",
"energy": -76.38072295,
"energy_per_atom": -6.365060245833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.35672295,
"band_gap": 0.3147999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.573000Z",
"spacegroup": 14
}
]
}