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"updated_at": "2021-11-28T01:35:00.389000Z",
"spacegroup": 122
},
{
"id": "mp-1208516",
"created_at": "2022-09-04T14:41:05.002210Z",
"structure_string": "Tb12 Cr4 S24\n1.0\n3.795606 0.000000 0.000000\n0.000000 13.323966 0.000000\n0.000000 0.000000 16.030210\nTb Cr S\n12 4 24\ndirect\n0.000000 0.550334 0.280860 Tb\n0.000000 0.449666 0.719140 Tb\n0.500000 0.949666 0.780860 Tb\n0.500000 0.050334 0.219140 Tb\n0.000000 0.754175 0.097162 Tb\n0.000000 0.245825 0.902838 Tb\n0.500000 0.745825 0.597162 Tb\n0.500000 0.254175 0.402838 Tb\n0.000000 0.319792 0.148375 Tb\n0.000000 0.680208 0.851625 Tb\n0.500000 0.180208 0.648375 Tb\n0.500000 0.819792 0.351625 Tb\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.120981 0.106710 S\n0.000000 0.879019 0.893290 S\n0.500000 0.379019 0.606710 S\n0.500000 0.620981 0.393290 S\n0.000000 0.187132 0.289446 S\n0.000000 0.812868 0.710554 S\n0.500000 0.312868 0.789446 S\n0.500000 0.687132 0.210554 S\n0.000000 0.179392 0.521368 S\n0.000000 0.820608 0.478632 S\n0.500000 0.320608 0.021368 S\n0.500000 0.679392 0.978632 S\n0.000000 0.523874 0.096683 S\n0.000000 0.476126 0.903317 S\n0.500000 0.976126 0.596683 S\n0.500000 0.023874 0.403317 S\n0.000000 0.103332 0.754427 S\n0.000000 0.896668 0.245573 S\n0.500000 0.396668 0.254427 S\n0.500000 0.603332 0.745573 S\n0.000000 0.417387 0.425610 S\n0.000000 0.582613 0.574390 S\n0.500000 0.082613 0.925610 S\n0.500000 0.917387 0.074390 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tb",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tb",
"density": 5.908648589771916,
"density_atomic": 0.04934079460670336,
"volume": 810.6882006834495,
"volume_molar": 12.205196142467152,
"formula_full": "Tb12 Cr4 S24",
"formula_reduced": "Tb3CrS6",
"formula_anonymous": "AB3C6",
"energy": -274.90786876,
"energy_per_atom": -6.8726967189999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.83586876,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0026699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.268000Z",
"spacegroup": 58
}
]
}