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"id": "mp-1188242",
"created_at": "2022-09-04T14:39:19.020556Z",
"structure_string": "Ho6 Tl10\n1.0\n5.144004 3.959833 0.000000\n-5.144004 3.959833 0.000000\n0.000000 0.000000 10.593854\nHo Tl\n6 10\ndirect\n0.613346 0.613346 0.250000 Ho\n0.386654 0.386654 0.750000 Ho\n0.792926 0.207074 0.500000 Ho\n0.792926 0.207074 0.000000 Ho\n0.207074 0.792926 0.500000 Ho\n0.207074 0.792926 0.000000 Ho\n0.999686 0.999686 0.250000 Tl\n0.000314 0.000314 0.750000 Tl\n0.299761 0.299761 0.042571 Tl\n0.700239 0.700239 0.957429 Tl\n0.299761 0.299761 0.457429 Tl\n0.700239 0.700239 0.542571 Tl\n0.058831 0.514809 0.250000 Tl\n0.485191 0.941169 0.750000 Tl\n0.941169 0.485191 0.750000 Tl\n0.514809 0.058831 0.250000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"Tl"
],
"chemical_system": "Ho-Tl",
"density": 11.67128754097074,
"density_atomic": 0.037073008895967034,
"volume": 431.5808313508794,
"volume_molar": 16.24400322320511,
"formula_full": "Ho6 Tl10",
"formula_reduced": "Ho3Tl5",
"formula_anonymous": "A3B5",
"energy": -55.30812555,
"energy_per_atom": -3.456757846875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.30812555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1508827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.319000Z",
"spacegroup": 63
}
]
}