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"structure_string": "V6 O4 F12\n1.0\n0.000000 5.413791 -0.035964\n4.711936 0.000000 0.000000\n0.000000 -1.025213 -9.984340\nV O F\n6 4 12\ndirect\n0.500000 0.500000 -0.000000 V\n0.266942 0.980590 0.755370 V\n0.733058 0.480590 0.744630 V\n0.500000 0.000000 0.500000 V\n0.266942 0.519411 0.255370 V\n0.733058 0.019410 0.244630 V\n0.472141 0.684870 0.822657 O\n0.527860 0.184870 0.677343 O\n0.472141 0.815131 0.322657 O\n0.527859 0.315131 0.177343 O\n0.028214 0.218372 0.194167 F\n0.971786 0.718373 0.305833 F\n0.784299 0.176024 0.426268 F\n0.304995 0.316050 0.424427 F\n0.695006 0.683951 0.575572 F\n0.304995 0.183950 0.924427 F\n0.028214 0.281628 0.694167 F\n0.971786 0.781628 0.805833 F\n0.784299 0.323977 0.926268 F\n0.215701 0.676024 0.073732 F\n0.215701 0.823977 0.573732 F\n0.695005 0.816050 0.075572 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.893706887235192,
"density_atomic": 0.08631898202797297,
"volume": 254.86862197784686,
"volume_molar": 6.976612349353743,
"formula_full": "V6 O4 F12",
"formula_reduced": "V3(OF3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.6101782995454543,
"spacegroup": 14
}
]
}