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"updated_at": "2022-09-04T14:38:04.770692Z",
"structure_string": "Mo4 O12\n1.0\n0.000000 5.325117 -0.003131\n5.158446 0.000000 0.000000\n0.000000 -0.004581 -7.398674\nMo O\n4 12\ndirect\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 -0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.709346 0.293809 0.546048 O\n0.790654 0.793809 0.453951 O\n0.209333 0.206168 0.953953 O\n0.290667 0.706168 0.046046 O\n0.290654 0.706192 0.453951 O\n0.209346 0.206192 0.546048 O\n0.790667 0.793833 0.046046 O\n0.709334 0.293833 0.953953 O\n0.514476 0.908998 0.749999 O\n0.985525 0.408997 0.250000 O\n0.014476 0.591004 0.749999 O\n0.485524 0.091003 0.250000 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.704170599952906,
"density_atomic": 0.07872594633463532,
"volume": 203.236680471135,
"volume_molar": 7.649499358701988,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7935991,
"spacegroup": 62
}
]
}