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{
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"created_at": "2022-09-04T14:37:35.707811Z",
"updated_at": "2022-09-04T14:37:35.707822Z",
"structure_string": "Ca1 Cu3 Ru4 O12\n1.0\n6.083207 0.000000 -2.150738\n-3.041603 5.268211 -2.150738\n-0.000000 -0.000000 6.452214\nCa Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500001 0.500000 0.499999 Ru\n0.000000 0.000000 0.500000 Ru\n0.173461 0.866567 0.693106 O\n0.133433 0.306893 0.826539 O\n0.693107 0.173460 0.866566 O\n0.519647 0.693106 0.826539 O\n0.826540 0.133433 0.306893 O\n0.866568 0.693106 0.173460 O\n0.480354 0.306893 0.173460 O\n0.173461 0.480354 0.306893 O\n0.693107 0.826540 0.519646 O\n0.306894 0.826540 0.133433 O\n0.306894 0.173460 0.480353 O\n0.826540 0.519646 0.693106 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-O-Ru",
"density": 6.641164021713692,
"density_atomic": 0.09672204644809852,
"volume": 206.778089737091,
"volume_molar": 6.2262338124033665,
"formula_full": "Ca1 Cu3 Ru4 O12",
"formula_reduced": "CaCu3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7950397885000005,
"spacegroup": 204
}
]
}