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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.651000Z",
"spacegroup": 48
},
{
"id": "mp-1223516",
"created_at": "2022-09-04T14:40:09.968803Z",
"structure_string": "K2 V2 Ni2 O2 F12\n1.0\n-3.781409 3.802791 5.313923\n3.781409 -3.802791 5.313923\n3.781409 3.802791 -5.313923\nK V Ni O F\n2 2 2 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.580116 0.830116 0.750000 O\n0.419884 0.169884 0.250000 O\n0.068894 0.818894 0.250000 F\n0.692743 0.442743 0.250000 F\n0.061076 0.805732 0.625488 F\n0.680244 0.435588 0.874512 F\n0.680244 0.805732 0.244656 F\n0.061076 0.435588 0.255344 F\n0.931106 0.181106 0.750000 F\n0.307257 0.557257 0.750000 F\n0.938924 0.194268 0.374512 F\n0.319756 0.564412 0.125488 F\n0.319756 0.194268 0.755344 F\n0.938924 0.564412 0.744656 F\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"V",
"Ni",
"O",
"F"
],
"chemical_system": "F-K-Ni-O-V",
"density": 3.0284511416711584,
"density_atomic": 0.06543327177846887,
"volume": 305.65489782800523,
"volume_molar": 9.203484093518329,
"formula_full": "K2 V2 Ni2 O2 F12",
"formula_reduced": "KVNiOF6",
"formula_anonymous": "ABCDE6",
"energy": -112.71413121,
"energy_per_atom": -5.6357065605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.31413121,
"band_gap": 0.1426,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9153528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.181000Z",
"spacegroup": 74
}
]
}