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"total_magnetization": 3.0014175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.020000Z",
"spacegroup": 3
},
{
"id": "mp-760947",
"created_at": "2022-09-04T14:47:44.253542Z",
"structure_string": "V4 O7 F5\n1.0\n-5.280174 0.035396 0.052934\n-2.610738 -4.598103 0.045366\n-0.065367 -2.801799 8.594154\nV O F\n4 7 5\ndirect\n0.684777 0.518042 0.243329 V\n0.458191 0.015434 0.477875 V\n0.273677 0.524286 0.741234 V\n0.964179 0.001022 0.982985 V\n0.567595 0.745927 0.378321 O\n0.409000 0.752587 0.097802 O\n0.421752 0.745345 0.664505 O\n0.590757 0.252755 0.342108 O\n0.602713 0.241938 0.917472 O\n0.057738 0.753780 0.881009 O\n0.105731 0.238073 0.411553 O\n0.933724 0.722679 0.591848 F\n0.914643 0.755578 0.167382 F\n0.945083 0.265022 0.126754 F\n0.471651 0.224735 0.629086 F\n0.098789 0.242796 0.846737 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2611680972797887,
"density_atomic": 0.07650018114257384,
"volume": 209.14983155635545,
"volume_molar": 7.872060784766639,
"formula_full": "V4 O7 F5",
"formula_reduced": "V4O7F5",
"formula_anonymous": "A4B5C7",
"energy": -121.44197205,
"energy_per_atom": -7.590123253125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.52297205,
"band_gap": 0.9182,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0031136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.099000Z",
"spacegroup": 1
}
]
}