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{
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{
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"total_magnetization": 7.9961203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.685000Z",
"spacegroup": 62
},
{
"id": "mp-559633",
"created_at": "2022-09-04T14:41:33.304176Z",
"structure_string": "Cu6 Pb1 O8\n1.0\n0.000000 4.670886 4.670886\n4.670886 0.000000 4.670886\n4.670886 4.670886 0.000000\nCu Pb O\n6 1 8\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.855761 0.432717 0.855761 O\n0.144239 0.144239 0.144239 O\n0.855761 0.855761 0.855761 O\n0.567283 0.144239 0.144239 O\n0.855761 0.855761 0.432717 O\n0.432717 0.855761 0.855761 O\n0.144239 0.144239 0.567283 O\n0.144239 0.567283 0.144239 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb",
"density": 5.837407827413804,
"density_atomic": 0.07359756740192783,
"volume": 203.81108410937895,
"volume_molar": 8.182526913032529,
"formula_full": "Cu6 Pb1 O8",
"formula_reduced": "Cu6PbO8",
"formula_anonymous": "AB6C8",
"energy": -83.45290284,
"energy_per_atom": -5.563526855999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.95690284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.038000Z",
"spacegroup": 225
}
]
}