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"structure_string": "V4 O3 F9\n1.0\n5.068752 0.044476 -0.776042\n-2.357116 4.437478 1.524230\n-1.131947 -0.313722 8.751882\nV O F\n4 3 9\ndirect\n0.240760 0.738639 0.753499 V\n0.499666 0.460427 0.503908 V\n0.734390 0.262630 0.253434 V\n-0.004079 0.028998 -0.007395 V\n0.040810 0.375300 0.875119 O\n0.468884 0.133691 0.624324 O\n0.578894 0.416098 0.325604 O\n0.073034 0.329937 0.431618 F\n0.055934 0.923167 0.817705 F\n0.566697 0.824554 0.935194 F\n0.445611 0.589447 0.676155 F\n0.429876 0.167096 0.066945 F\n0.525450 0.867272 0.374253 F\n0.975934 0.625070 0.118274 F\n0.937422 0.076529 0.185730 F\n0.930708 0.681159 0.565630 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.58810955045595,
"density_atomic": 0.08178113602155376,
"volume": 195.64413969235073,
"volume_molar": 7.363728425602746,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 1.64020186515625,
"spacegroup": 1
}
]
}