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"created_at": "2022-09-04T14:37:53.597840Z",
"updated_at": "2022-09-04T14:37:53.597860Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n4.990931 -0.016429 -0.024323\n2.072783 4.540049 0.038018\n1.055500 0.917625 9.876412\nLi Mn Co O\n6 5 1 12\ndirect\n0.365353 0.044908 0.764269 Li\n0.032785 0.713963 0.764873 Li\n0.271359 0.649152 0.237894 Li\n0.634645 0.955093 0.235731 Li\n0.728639 0.350849 0.762106 Li\n0.967213 0.286038 0.235127 Li\n0.330092 0.329889 -0.000071 Mn\n0.167737 0.664902 0.501899 Mn\n0.500000 0.000000 0.500000 Mn\n0.669907 0.670111 0.000072 Mn\n0.832261 0.335099 0.498101 Mn\n0.000000 0.000000 0.000000 Co\n0.186714 0.942414 0.613963 O\n0.051855 0.322450 0.882991 O\n0.147395 0.391852 0.387134 O\n0.283591 0.012566 0.116957 O\n0.716408 0.987435 0.883043 O\n0.521359 0.275508 0.612483 O\n0.346488 0.687205 0.898918 O\n0.653511 0.312796 0.101082 O\n0.478640 0.724494 0.387518 O\n0.813285 0.057587 0.386038 O\n0.852603 0.608149 0.612867 O\n0.948143 0.677551 0.117010 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.20476719513163,
"density_atomic": 0.10713225324625511,
"volume": 224.02217140746023,
"volume_molar": 5.621221039902387,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.980705379454023,
"spacegroup": 2
},
{
"id": "jvasp-4486",
"created_at": "2022-09-04T14:37:57.099405Z",
"updated_at": "2022-09-04T14:37:57.099419Z",
"structure_string": "Ca2 Si2 O6\n1.0\n4.412638 -0.000000 2.540909\n1.496775 4.168321 2.502676\n0.008617 0.017652 5.087066\nCa Si O\n2 2 6\ndirect\n0.750000 0.749128 0.750873 Ca\n0.250000 0.250871 0.249130 Ca\n0.500000 0.500000 0.500001 Si\n0.000000 0.000000 0.000000 Si\n0.750000 0.213198 0.286802 O\n0.250000 0.786801 0.713200 O\n0.768873 0.731127 0.231128 O\n0.731128 0.268873 0.768874 O\n0.268873 0.731127 0.231128 O\n0.231127 0.268873 0.768874 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132693783077623,
"density_atomic": 0.10712508377662773,
"volume": 93.34881847888714,
"volume_molar": 5.621597246595474,
"formula_full": "Ca2 Si2 O6",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506367904,
"spacegroup": 74
}
]
}