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"created_at": "2022-09-04T14:38:50.625067Z",
"updated_at": "2022-09-04T14:38:50.625095Z",
"structure_string": "Ca3 Ru4 O14\n1.0\n6.264325 0.000000 3.616710\n-4.176216 5.849002 0.000000\n-0.000000 -0.000000 7.233419\nCa Ru O\n3 4 14\ndirect\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.754645 0.068188 0.686458 O\n0.748709 0.679039 0.069672 O\n0.748709 0.679039 0.681620 O\n0.754645 0.068188 0.058898 O\n0.360657 0.679039 0.069671 O\n0.127085 0.068188 0.686458 O\n0.251290 0.320961 0.318381 O\n0.251290 0.320961 0.930329 O\n0.762754 0.394132 0.368623 O\n0.245354 0.931812 0.941103 O\n0.639341 0.320961 0.930330 O\n0.872914 0.931812 0.313543 O\n0.245354 0.931812 0.313543 O\n0.237244 0.605867 0.631378 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.689693691670044,
"density_atomic": 0.07923546682722192,
"volume": 265.03282987897154,
"volume_molar": 7.600309559772859,
"formula_full": "Ca3 Ru4 O14",
"formula_reduced": "Ca3(Ru2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.966309631428572,
"spacegroup": 166
}
]
}