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"formula_full": "Tb3 Hg1",
"formula_reduced": "Tb3Hg",
"formula_anonymous": "AB3",
"energy": -14.82755532,
"energy_per_atom": -3.70688883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.82755532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8562967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.992000Z",
"spacegroup": 221
},
{
"id": "mp-1208569",
"created_at": "2022-09-04T14:44:19.082499Z",
"structure_string": "Tb12 Ge8 Rh8\n1.0\n5.621895 0.000000 0.000000\n0.000000 7.900554 0.000000\n0.000000 0.000000 13.285324\nTb Ge Rh\n12 8 8\ndirect\n0.633538 0.251898 0.250000 Tb\n0.366462 0.748102 0.750000 Tb\n0.366462 0.751898 0.250000 Tb\n0.633538 0.248102 0.750000 Tb\n0.146407 0.393414 0.100315 Tb\n0.853593 0.606586 0.899685 Tb\n0.853593 0.606586 0.600315 Tb\n0.853593 0.893414 0.399685 Tb\n0.146407 0.393414 0.399685 Tb\n0.146407 0.106586 0.600315 Tb\n0.146407 0.106586 0.899685 Tb\n0.853593 0.893414 0.100315 Tb\n0.132518 0.107391 0.250000 Ge\n0.867482 0.892609 0.750000 Ge\n0.867482 0.607391 0.250000 Ge\n0.132518 0.392609 0.750000 Ge\n0.658909 0.250000 0.000000 Ge\n0.341091 0.750000 0.000000 Ge\n0.341091 0.750000 0.500000 Ge\n0.658909 0.250000 0.500000 Ge\n0.375966 0.038563 0.093359 Rh\n0.624034 0.961437 0.906641 Rh\n0.624034 0.961437 0.593359 Rh\n0.624034 0.538563 0.406641 Rh\n0.375966 0.038563 0.406641 Rh\n0.375966 0.461437 0.593359 Rh\n0.375966 0.461437 0.906641 Rh\n0.624034 0.538563 0.093359 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tb",
"density": 9.318741402670705,
"density_atomic": 0.047451025761469055,
"volume": 590.0820804328412,
"volume_molar": 12.691276244000756,
"formula_full": "Tb12 Ge8 Rh8",
"formula_reduced": "Tb3(GeRh)2",
"formula_anonymous": "A2B2C3",
"energy": -177.23802726,
"energy_per_atom": -6.329929545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.23802726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.800000Z",
"spacegroup": 57
}
]
}