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{
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{
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"id": "mp-1214887",
"created_at": "2022-09-04T14:40:26.619831Z",
"structure_string": "Al28 Cu8 Rh4\n1.0\n6.444531 0.000000 0.000000\n0.000000 6.444531 0.000000\n0.000000 0.000000 14.779154\nAl Cu Rh\n28 8 4\ndirect\n0.149021 0.649021 0.250000 Al\n0.850979 0.350979 0.750000 Al\n0.850979 0.350979 0.250000 Al\n0.350979 0.149021 0.250000 Al\n0.149021 0.649021 0.750000 Al\n0.649021 0.850979 0.750000 Al\n0.649021 0.850979 0.250000 Al\n0.350979 0.149021 0.750000 Al\n0.000000 0.000000 0.127489 Al\n0.000000 0.000000 0.872511 Al\n0.500000 0.500000 0.372511 Al\n0.500000 0.500000 0.627489 Al\n0.198504 0.412909 0.097648 Al\n0.801496 0.587091 0.902352 Al\n0.801496 0.587091 0.097648 Al\n0.587091 0.198504 0.097648 Al\n0.301496 0.912909 0.402352 Al\n0.198504 0.412909 0.902352 Al\n0.412909 0.801496 0.902352 Al\n0.698504 0.087091 0.597648 Al\n0.412909 0.801496 0.097648 Al\n0.698504 0.087091 0.402352 Al\n0.587091 0.198504 0.902352 Al\n0.301496 0.912909 0.597648 Al\n0.912909 0.698504 0.402352 Al\n0.087091 0.301496 0.597648 Al\n0.087091 0.301496 0.402352 Al\n0.912909 0.698504 0.597648 Al\n0.267678 0.094373 0.000000 Cu\n0.732322 0.905627 0.000000 Cu\n0.905627 0.267678 0.000000 Cu\n0.232322 0.594373 0.500000 Cu\n0.094373 0.732322 0.000000 Cu\n0.767678 0.405627 0.500000 Cu\n0.594373 0.767678 0.500000 Cu\n0.405627 0.232322 0.500000 Cu\n0.000000 0.000000 0.298064 Rh\n0.000000 0.000000 0.701936 Rh\n0.500000 0.500000 0.201936 Rh\n0.500000 0.500000 0.798064 Rh\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Rh"
],
"chemical_system": "Al-Cu-Rh",
"density": 4.532672523482287,
"density_atomic": 0.06516700811879204,
"volume": 613.8075255363043,
"volume_molar": 9.241088295817297,
"formula_full": "Al28 Cu8 Rh4",
"formula_reduced": "Al7Cu2Rh",
"formula_anonymous": "AB2C7",
"energy": -182.32685042,
"energy_per_atom": -4.5581712605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.32685042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0239064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.820000Z",
"spacegroup": 128
}
]
}