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{
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{
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{
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{
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{
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{
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"id": "mp-1214105",
"created_at": "2022-09-04T14:45:21.923870Z",
"structure_string": "Ce6 Rh8 Pb26\n1.0\n10.206734 0.000000 0.000000\n0.000000 10.206734 0.000000\n0.000000 0.000000 10.206734\nCe Rh Pb\n6 8 26\ndirect\n0.250000 0.000000 0.500000 Ce\n0.750000 0.000000 0.500000 Ce\n0.500000 0.250000 0.000000 Ce\n0.500000 0.750000 0.000000 Ce\n0.000000 0.500000 0.250000 Ce\n0.000000 0.500000 0.750000 Ce\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.750000 0.750000 0.250000 Rh\n0.750000 0.250000 0.750000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.154055 0.306518 Pb\n0.000000 0.845945 0.693482 Pb\n0.000000 0.845945 0.306518 Pb\n0.000000 0.154055 0.693482 Pb\n0.306518 0.000000 0.154055 Pb\n0.654055 0.500000 0.193482 Pb\n0.693482 0.000000 0.845945 Pb\n0.345945 0.500000 0.806518 Pb\n0.306518 0.000000 0.845945 Pb\n0.345945 0.500000 0.193482 Pb\n0.693482 0.000000 0.154055 Pb\n0.654055 0.500000 0.806518 Pb\n0.154055 0.306518 0.000000 Pb\n0.500000 0.806518 0.345945 Pb\n0.845945 0.693482 0.000000 Pb\n0.500000 0.193482 0.654055 Pb\n0.154055 0.693482 0.000000 Pb\n0.500000 0.193482 0.345945 Pb\n0.845945 0.306518 0.000000 Pb\n0.500000 0.806518 0.654055 Pb\n0.193482 0.654055 0.500000 Pb\n0.806518 0.345945 0.500000 Pb\n0.193482 0.345945 0.500000 Pb\n0.806518 0.654055 0.500000 Pb\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ce",
"Rh",
"Pb"
],
"chemical_system": "Ce-Pb-Rh",
"density": 11.011539603892743,
"density_atomic": 0.03761833774503024,
"volume": 1063.311203996099,
"volume_molar": 16.008524355373957,
"formula_full": "Ce6 Rh8 Pb26",
"formula_reduced": "Ce3Rh4Pb13",
"formula_anonymous": "A3B4C13",
"energy": -201.24229084,
"energy_per_atom": -5.031057271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.24229084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2770059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.341000Z",
"spacegroup": 223
}
]
}