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{
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{
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{
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{
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{
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],
"chemical_system": "Li-Ni-O",
"density": 4.454912949939475,
"density_atomic": 0.12056522177765804,
"volume": 199.06238006396174,
"volume_molar": 4.994923636524148,
"formula_full": "Li7 Ni5 O12",
"formula_reduced": "Li7Ni5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.0064235,
"spacegroup": 12
},
{
"id": "jvasp-45235",
"created_at": "2022-09-04T14:38:10.144236Z",
"updated_at": "2022-09-04T14:38:10.144263Z",
"structure_string": "Li7 Cr5 O12\n1.0\n2.490447 -4.314511 -0.014017\n2.490113 4.313388 0.007008\n-0.812980 1.408426 9.561400\nLi Cr O\n7 5 12\ndirect\n0.994277 0.499906 0.010573 Li\n0.345965 0.174940 0.010419 Li\n0.153942 0.824889 0.489567 Li\n0.505628 0.499906 0.489426 Li\n0.828976 0.174941 0.489580 Li\n0.670947 0.824889 0.010433 Li\n0.749934 0.499868 0.250000 Li\n0.416582 0.833168 0.250000 Cr\n0.583112 0.166226 0.750000 Cr\n0.917050 0.834101 0.750000 Cr\n0.083308 0.166619 0.250000 Cr\n0.250081 0.500163 0.750000 Cr\n0.548681 0.836754 0.636054 O\n0.212089 0.163577 0.636053 O\n0.432860 0.145036 0.363698 O\n0.142956 0.499900 0.364076 O\n0.712175 0.145036 0.136301 O\n0.951486 0.163577 0.863946 O\n0.356943 0.499901 0.135924 O\n0.624587 0.500161 0.865966 O\n0.067041 0.854766 0.136301 O\n0.288072 0.836754 0.863946 O\n0.875574 0.500161 0.634033 O\n0.787725 0.854766 0.363699 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.047982894471768,
"density_atomic": 0.11688113240944868,
"volume": 205.33681959826595,
"volume_molar": 5.152363461797851,
"formula_full": "Li7 Cr5 O12",
"formula_reduced": "Li7Cr5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.974358708333333,
"spacegroup": 12
}
]
}