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"id": "mp-555277",
"created_at": "2022-09-04T14:47:32.885954Z",
"structure_string": "Rh28 Pb12 O60\n1.0\n5.280001 -9.145229 0.000000\n5.280001 9.145229 0.000000\n0.000000 0.000000 13.494652\nRh Pb O\n28 12 60\ndirect\n0.666667 0.333333 0.647583 Rh\n0.831236 0.662471 0.500000 Rh\n0.666667 0.333333 0.852417 Rh\n0.666667 0.333333 0.147583 Rh\n0.337529 0.168764 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.337529 0.168764 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.168764 0.831236 0.500000 Rh\n0.333333 0.666667 0.852417 Rh\n0.662471 0.831236 0.500000 Rh\n0.831236 0.168764 0.500000 Rh\n0.168764 0.831236 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.333333 0.666667 0.352417 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.662471 0.831236 0.000000 Rh\n0.168764 0.337529 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.333333 0.666667 0.647583 Rh\n0.500000 0.000000 0.500000 Rh\n0.333333 0.666667 0.147583 Rh\n0.666667 0.333333 0.352417 Rh\n0.168764 0.337529 0.000000 Rh\n0.831236 0.662471 0.000000 Rh\n0.831236 0.168764 0.000000 Rh\n0.731737 0.000000 0.250000 Pb\n0.602636 0.602636 0.250000 Pb\n0.000000 0.731737 0.250000 Pb\n0.397364 0.397364 0.750000 Pb\n0.397364 0.000000 0.250000 Pb\n0.000000 0.397364 0.250000 Pb\n0.268263 0.000000 0.750000 Pb\n0.602636 0.000000 0.750000 Pb\n0.000000 0.602636 0.750000 Pb\n0.000000 0.268263 0.750000 Pb\n0.731737 0.731737 0.750000 Pb\n0.268263 0.268263 0.250000 Pb\n0.000000 0.333831 0.922942 O\n0.506751 0.665703 0.081223 O\n0.821806 0.343457 0.750000 O\n0.334297 0.493249 0.918777 O\n0.841049 0.506751 0.918777 O\n0.158951 0.665703 0.581223 O\n0.506751 0.841049 0.581223 O\n0.000000 0.830877 0.574661 O\n0.666169 0.666169 0.577058 O\n0.493249 0.334297 0.581223 O\n0.666169 0.000000 0.077058 O\n0.169123 0.000000 0.074661 O\n0.493249 0.334297 0.918777 O\n0.665703 0.506751 0.081223 O\n0.830877 0.830877 0.074661 O\n0.656543 0.178194 0.250000 O\n0.000000 0.666169 0.422942 O\n0.666169 0.666169 0.922942 O\n0.000000 0.830877 0.925339 O\n0.506751 0.841049 0.918777 O\n0.158951 0.665703 0.918777 O\n0.000000 0.169123 0.425339 O\n0.000000 0.666169 0.077058 O\n0.841049 0.506751 0.581223 O\n0.334297 0.493249 0.581223 O\n0.841049 0.334297 0.081223 O\n0.665703 0.506751 0.418777 O\n0.000000 0.333831 0.577058 O\n0.169123 0.169123 0.574661 O\n0.478349 0.656543 0.750000 O\n0.333831 0.333831 0.077058 O\n0.665703 0.158951 0.581223 O\n0.830877 0.000000 0.925339 O\n0.656543 0.478349 0.750000 O\n0.158951 0.493249 0.418777 O\n0.521651 0.343457 0.250000 O\n0.343457 0.821806 0.750000 O\n0.821806 0.478349 0.250000 O\n0.665703 0.158951 0.918777 O\n0.478349 0.821806 0.250000 O\n0.493249 0.158951 0.081223 O\n0.521651 0.178194 0.750000 O\n0.493249 0.158951 0.418777 O\n0.343457 0.521651 0.250000 O\n0.333831 0.000000 0.922942 O\n0.333831 0.000000 0.577058 O\n0.334297 0.841049 0.418777 O\n0.178194 0.656543 0.250000 O\n0.333831 0.333831 0.422942 O\n0.178194 0.521651 0.750000 O\n0.334297 0.841049 0.081223 O\n0.158951 0.493249 0.081223 O\n0.841049 0.334297 0.418777 O\n0.830877 0.000000 0.574661 O\n0.506751 0.665703 0.418777 O\n0.000000 0.169123 0.074661 O\n0.666169 0.000000 0.422942 O\n0.169123 0.000000 0.425339 O\n0.830877 0.830877 0.425339 O\n0.169123 0.169123 0.925339 O\n",
"nsites": 100,
"nelements": 3,
"elements": [
"Rh",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rh",
"density": 8.062615311030326,
"density_atomic": 0.07673256664335405,
"volume": 1303.2276173530183,
"volume_molar": 7.8482201540192955,
"formula_full": "Rh28 Pb12 O60",
"formula_reduced": "Rh7(PbO5)3",
"formula_anonymous": "A3B7C15",
"energy": -674.2688778500001,
"energy_per_atom": -6.742688778500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -633.04887785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018724,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.126000Z",
"spacegroup": 193
}
]
}