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"id": "mp-4860",
"created_at": "2022-09-04T14:41:03.166866Z",
"structure_string": "Gd4 Cu2 O8\n1.0\n3.909540 3.909271 0.000132\n3.909392 -3.909123 0.000002\n1.954667 1.954535 -5.986798\nGd Cu O\n4 2 8\ndirect\n0.150889 0.500000 0.698231 Gd\n0.349286 0.000000 0.301427 Gd\n0.849290 0.500000 0.301418 Gd\n0.650635 0.000000 0.698733 Gd\n0.499977 0.500002 0.000041 Cu\n0.999978 0.000001 0.000037 Cu\n0.999955 0.249981 0.500042 O\n0.500009 0.750014 0.500038 O\n0.500056 0.249990 0.499946 O\n0.000002 0.750014 0.499949 O\n0.249896 0.750123 0.000036 O\n0.750066 0.249875 0.000031 O\n0.249902 0.249874 0.000037 O\n0.750059 0.750126 0.000032 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Gd",
"Cu",
"O"
],
"chemical_system": "Cu-Gd-O",
"density": 8.02250164944301,
"density_atomic": 0.07650567486528853,
"volume": 182.9929613019067,
"volume_molar": 7.871495507495108,
"formula_full": "Gd4 Cu2 O8",
"formula_reduced": "Gd2CuO4",
"formula_anonymous": "AB2C4",
"energy": -146.9140905,
"energy_per_atom": -10.493863607142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.4180905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8500178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.416000Z",
"spacegroup": 139
}
]
}