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"structure_string": "Co4 B4 O10\n1.0\n3.109337 0.013949 0.025048\n-0.155313 6.261095 0.084189\n-0.092643 -2.243547 8.845149\nCo B O\n4 4 10\ndirect\n0.731160 0.215126 0.349107 Co\n0.268843 0.784873 0.650894 Co\n0.228267 0.381661 0.100075 Co\n0.771736 0.618338 0.899925 Co\n0.699074 0.687413 0.360244 B\n0.300929 0.312586 0.639756 B\n0.341815 0.883847 0.168278 B\n0.658189 0.116152 0.831722 B\n0.433964 0.135608 0.698880 O\n0.566039 0.864391 0.301121 O\n0.267385 0.515271 0.736693 O\n0.732618 0.484728 0.263308 O\n0.261521 0.700463 0.056234 O\n0.232869 0.095123 0.174546 O\n0.738482 0.299536 0.943766 O\n0.779173 0.727113 0.510401 O\n0.767134 0.904876 0.825454 O\n0.220830 0.272886 0.489599 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Co-O",
"density": 4.217707258550107,
"density_atomic": 0.1041511880304016,
"volume": 172.82568101619563,
"volume_molar": 5.782114322346612,
"formula_full": "Co4 B4 O10",
"formula_reduced": "Co2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 3.4339982740740744,
"spacegroup": 2
},
{
"id": "jvasp-43580",
"created_at": "2022-09-04T14:35:44.350716Z",
"updated_at": "2022-09-04T14:35:44.350735Z",
"structure_string": "Li3 Fe1 F6\n1.0\n2.432317 -4.212897 -0.000000\n2.432317 4.212897 0.000000\n0.000000 0.000000 4.684919\nLi Fe F\n3 1 6\ndirect\n0.333333 0.666668 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.666668 0.333333 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.306482 0.250231 F\n0.000000 0.693519 0.749769 F\n0.306482 0.000000 0.250231 F\n0.306482 0.306482 0.749769 F\n0.693519 0.000000 0.749769 F\n0.693519 0.693519 0.250231 F\n",
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"chemical_system": "F-Fe-Li",
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"formula_full": "Li3 Fe1 F6",
"formula_reduced": "Li3FeF6",
"formula_anonymous": "AB3C6",
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"spacegroup": 162
}
]
}