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{
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"structure_string": "Ba6 Na2 Sb2 O12\n1.0\n7.200651 -0.007917 -0.234166\n-0.241648 7.196600 -0.234166\n-0.007664 -0.007917 7.204453\nBa Na Sb O\n6 2 2 12\ndirect\n0.250000 0.600833 0.899166 Ba\n0.899167 0.249999 0.600833 Ba\n0.600833 0.899166 0.249999 Ba\n0.399167 0.100833 0.749999 Ba\n0.750000 0.399166 0.100833 Ba\n0.100834 0.750000 0.399166 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.499999 Sb\n0.231748 0.417987 0.551174 O\n0.917987 0.731748 0.051174 O\n0.731748 0.051174 0.917986 O\n0.051175 0.917987 0.731747 O\n0.582013 0.448825 0.768251 O\n0.948825 0.082012 0.268251 O\n0.768252 0.582013 0.448824 O\n0.082013 0.268252 0.948824 O\n0.268252 0.948825 0.082012 O\n0.551175 0.231748 0.417986 O\n0.448825 0.768252 0.582012 O\n0.417987 0.551175 0.231747 O\n",
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"structure_string": "U10 Sb8\n1.0\n9.317727 -0.000000 0.000000\n-4.658864 8.069388 0.000000\n-0.000000 0.000000 6.179427\nU Sb\n10 8\ndirect\n0.333334 0.666667 -0.000000 U\n0.289019 0.289019 0.750000 U\n0.000000 0.710981 0.750000 U\n0.000000 0.289019 0.250000 U\n0.710981 0.000000 0.750000 U\n0.710982 0.710981 0.250000 U\n0.333334 0.666667 0.500000 U\n0.666667 0.333333 0.500000 U\n0.666667 0.333333 -0.000000 U\n0.289019 0.000000 0.250000 U\n0.377183 0.377183 0.250000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.622817 0.000000 0.250000 Sb\n0.377183 0.000000 0.750000 Sb\n0.000000 0.622817 0.250000 Sb\n0.000000 0.377183 0.750000 Sb\n0.622818 0.622817 0.750000 Sb\n",
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"created_at": "2022-09-04T14:38:43.703538Z",
"updated_at": "2022-09-04T14:38:43.703565Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.123719 0.005368 -0.834579\n0.411839 8.614832 2.520278\n0.004695 -0.018902 5.560718\nNa Fe O\n8 4 12\ndirect\n0.749967 0.250032 0.499944 Na\n0.249973 0.750032 0.499949 Na\n-0.000002 0.999986 0.000010 Na\n0.500000 0.499986 0.000014 Na\n0.235761 0.078603 0.500054 Na\n0.735764 0.578604 0.500062 Na\n0.264197 0.421455 0.500024 Na\n0.764197 0.921455 0.500022 Na\n0.000900 0.333619 0.999997 Fe\n0.499117 0.166360 -0.000009 Fe\n0.500901 0.833620 1.000000 Fe\n0.999120 0.666360 -0.000005 Fe\n0.588161 0.033769 0.802301 O\n0.654509 0.345504 0.801322 O\n0.154511 0.845502 0.801326 O\n0.845507 0.154484 0.198669 O\n0.345510 0.654483 0.198676 O\n0.344720 0.277165 0.197682 O\n0.844723 0.777165 0.197686 O\n0.911864 0.466217 0.197683 O\n0.411863 0.966216 0.197682 O\n0.155290 0.222807 0.802306 O\n0.655294 0.722807 0.802309 O\n0.088164 0.533771 0.802304 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.049884485424215,
"density_atomic": 0.09767132015795839,
"volume": 245.72208055738508,
"volume_molar": 6.165720653985967,
"formula_full": "Na8 Fe4 O12",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4321723333333334,
"spacegroup": 12
}
]
}