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"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7336745797727274,
"spacegroup": 2
},
{
"id": "jvasp-45077",
"created_at": "2022-09-04T14:38:07.801419Z",
"updated_at": "2022-09-04T14:38:07.801449Z",
"structure_string": "Lu4 Co4 O14\n1.0\n-4.859557 4.859557 0.000000\n4.859557 0.000000 4.859557\n4.859557 4.859557 -0.000000\nLu Co O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.330989 0.250000 0.919011 O\n0.375000 0.750000 0.375000 O\n0.669011 0.750000 0.669011 O\n0.080989 0.161978 0.669011 O\n0.080989 0.750000 0.080989 O\n0.919011 0.838022 0.330989 O\n0.669011 0.750000 0.080989 O\n0.625000 0.250000 0.625000 O\n0.330989 0.250000 0.330989 O\n0.330989 0.661979 0.919011 O\n0.669011 0.338022 0.080989 O\n0.919011 0.250000 0.330989 O\n0.919011 0.250000 0.919011 O\n0.080989 0.750000 0.669011 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Co-Lu-O",
"density": 8.38946782944598,
"density_atomic": 0.09585232322182449,
"volume": 229.5197368256469,
"volume_molar": 6.282728010737278,
"formula_full": "Lu4 Co4 O14",
"formula_reduced": "Lu2Co2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.6531952545454547,
"spacegroup": 227
}
]
}