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{
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{
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"id": "mp-1206772",
"created_at": "2022-09-04T14:40:59.393119Z",
"structure_string": "Th1 B1 Rh3\n1.0\n4.285879 0.000000 0.000000\n0.000000 4.285879 0.000000\n0.000000 0.000000 4.285879\nTh B Rh\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"B",
"Rh"
],
"chemical_system": "B-Rh-Th",
"density": 11.63393199825944,
"density_atomic": 0.06351119539624453,
"volume": 78.72627760830423,
"volume_molar": 9.482014505360885,
"formula_full": "Th1 B1 Rh3",
"formula_reduced": "ThBRh3",
"formula_anonymous": "ABC3",
"energy": -40.60253348,
"energy_per_atom": -8.120506696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.60253348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.867000Z",
"spacegroup": 221
}
]
}