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"id": "mp-1181675",
"created_at": "2022-09-04T14:45:02.288717Z",
"structure_string": "Cu16 Cl8 O24\n1.0\n5.763770 -6.328494 0.000000\n5.763770 6.328494 0.000000\n-1.184779 0.000000 8.477452\nCu Cl O\n16 8 24\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.999688 0.752903 0.251693 Cu\n0.251693 0.999688 0.752903 Cu\n0.752903 0.251693 0.999688 Cu\n0.000312 0.247097 0.748307 Cu\n0.748307 0.000312 0.247097 Cu\n0.247097 0.748307 0.000312 Cu\n0.245781 0.498815 0.252747 Cu\n0.252747 0.245781 0.498815 Cu\n0.498815 0.252747 0.245781 Cu\n0.754219 0.501185 0.747253 Cu\n0.747253 0.754219 0.501185 Cu\n0.501185 0.747253 0.754219 Cu\n0.809324 0.809324 0.809324 Cl\n0.190676 0.190676 0.190676 Cl\n0.312170 0.806642 0.310113 Cl\n0.310113 0.312170 0.806642 Cl\n0.806642 0.310113 0.312170 Cl\n0.687830 0.193358 0.689887 Cl\n0.689887 0.687830 0.193358 Cl\n0.193358 0.689887 0.687830 Cl\n0.224666 0.532076 0.035614 O\n0.035614 0.224666 0.532076 O\n0.532076 0.035614 0.224666 O\n0.775334 0.467924 0.964386 O\n0.964386 0.775334 0.467924 O\n0.467924 0.964386 0.775334 O\n0.031825 0.733847 0.036815 O\n0.036815 0.031825 0.733847 O\n0.733847 0.036815 0.031825 O\n0.968175 0.266153 0.963185 O\n0.963185 0.968175 0.266153 O\n0.266153 0.963185 0.968175 O\n0.032513 0.538832 0.239914 O\n0.239914 0.032513 0.538832 O\n0.538832 0.239914 0.032513 O\n0.967487 0.461168 0.760086 O\n0.760086 0.967487 0.461168 O\n0.461168 0.760086 0.967487 O\n0.731864 0.537383 0.532088 O\n0.532088 0.731864 0.537383 O\n0.537383 0.532088 0.731864 O\n0.268136 0.462617 0.467912 O\n0.467912 0.268136 0.462617 O\n0.462617 0.467912 0.268136 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O",
"density": 4.522493526096931,
"density_atomic": 0.07761378931190269,
"volume": 618.446804692202,
"volume_molar": 7.759111896726393,
"formula_full": "Cu16 Cl8 O24",
"formula_reduced": "Cu2ClO3",
"formula_anonymous": "AB2C3",
"energy": -230.78193958,
"energy_per_atom": -4.807957074583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.38193958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1967996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.470000Z",
"spacegroup": 148
}
]
}