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"formula_full": "Mg7 V1 H16",
"formula_reduced": "Mg7VH16",
"formula_anonymous": "AB7C16",
"energy_above_hull": 2.093995314583333,
"spacegroup": 225
},
{
"id": "jvasp-119554",
"created_at": "2022-09-04T14:38:51.602334Z",
"updated_at": "2022-09-04T14:38:51.602356Z",
"structure_string": "Ti2 Co6 O16\n1.0\n5.612082 -0.000000 0.000000\n-2.806041 4.860205 0.000000\n-0.000000 -0.000000 8.873403\nTi Co O\n2 6 16\ndirect\n0.333334 0.666667 0.494677 Ti\n0.666667 0.333334 0.994677 Ti\n0.167488 0.832514 0.213541 Co\n0.167487 0.334975 0.213541 Co\n0.665026 0.832514 0.213541 Co\n0.334974 0.167487 0.713540 Co\n0.832513 0.665026 0.713540 Co\n0.832513 0.167487 0.713540 Co\n0.836838 0.673676 0.101339 O\n0.666667 0.333334 0.605522 O\n0.517283 0.034567 0.832085 O\n0.517284 0.482717 0.832085 O\n0.673676 0.836839 0.601339 O\n0.326325 0.163162 0.101339 O\n0.482717 0.517284 0.332085 O\n0.000000 0.000000 0.316737 O\n0.163162 0.326325 0.601339 O\n0.000000 0.000000 0.816736 O\n0.965433 0.482717 0.832085 O\n0.333334 0.666667 0.105522 O\n0.034567 0.517284 0.332085 O\n0.163162 0.836839 0.601339 O\n0.482717 0.965434 0.332085 O\n0.836838 0.163162 0.101339 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 4.839145634486823,
"density_atomic": 0.09916135204416329,
"volume": 242.0297777839008,
"volume_molar": 6.073072458025715,
"formula_full": "Ti2 Co6 O16",
"formula_reduced": "TiCo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.224211586111112,
"spacegroup": 186
}
]
}