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"structure_string": "Na12 Mn2 O8\n1.0\n7.484752 0.000000 0.000000\n0.000000 7.484752 0.000000\n0.000000 0.000000 5.448262\nNa Mn O\n12 2 8\ndirect\n0.787844 0.787844 0.000000 Na\n0.712155 0.712155 0.500000 Na\n0.000000 0.500000 0.083177 Na\n0.000000 0.500000 0.583177 Na\n0.712155 0.287844 0.500000 Na\n0.287844 0.287844 0.500000 Na\n0.287844 0.712155 0.500000 Na\n0.787844 0.212156 0.000000 Na\n0.500000 0.000000 0.416823 Na\n0.500000 0.000000 0.916823 Na\n0.212156 0.787844 0.000000 Na\n0.212156 0.212156 0.000000 Na\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.747027 0.500000 0.815956 O\n0.500000 0.747027 0.184043 O\n0.247027 0.000000 0.684043 O\n0.752972 0.000000 0.684043 O\n0.500000 0.252973 0.184043 O\n0.000000 0.247027 0.315956 O\n0.252973 0.500000 0.815956 O\n0.000000 0.752972 0.315956 O\n",
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"created_at": "2022-09-04T14:37:09.629655Z",
"updated_at": "2022-09-04T14:37:09.629670Z",
"structure_string": "Li4 Cr5 Sb1 O12\n1.0\n5.171833 -0.004549 0.168669\n-2.600999 4.470198 0.168669\n0.328768 0.571085 10.224104\nLi Cr Sb O\n4 5 1 12\ndirect\n0.112211 0.450604 0.710706 Li\n0.549395 0.887789 0.289294 Li\n0.450604 0.112210 0.710706 Li\n0.887789 0.549395 0.289294 Li\n0.162251 0.837748 0.500000 Cr\n0.335123 0.664877 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.664877 0.335123 0.000000 Cr\n0.837748 0.162251 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.808177 0.461790 0.603110 O\n0.538209 0.191822 0.396890 O\n0.851644 0.851644 0.393881 O\n0.687103 0.687103 0.901030 O\n0.312896 0.312897 0.098970 O\n0.973971 0.634870 0.102151 O\n0.461790 0.808177 0.603110 O\n0.191822 0.538210 0.396890 O\n0.365129 0.026028 0.897849 O\n0.634870 0.973971 0.102151 O\n0.148355 0.148355 0.606119 O\n0.026029 0.365129 0.897849 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.245657444672241,
"density_atomic": 0.09351576951495301,
"volume": 235.25444012394337,
"volume_molar": 6.4397061492789955,
"formula_full": "Li4 Cr5 Sb1 O12",
"formula_reduced": "Li4Cr5SbO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.2133715954545456,
"spacegroup": 12
}
]
}