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"structure_string": "V2 Fe2 O8\n1.0\n-2.942540 3.094925 3.932434\n2.942540 -3.094925 3.932434\n2.942540 3.094925 -3.932434\nV Fe O\n2 2 8\ndirect\n0.637579 0.387579 0.250000 V\n0.362421 0.612421 0.750000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.752946 0.233734 0.980787 O\n0.726369 0.258056 0.468313 O\n0.289744 0.258056 0.031687 O\n0.247054 0.227841 0.480787 O\n0.752946 0.772159 0.519213 O\n0.710256 0.741944 0.968313 O\n0.273631 0.741944 0.531687 O\n0.247054 0.766266 0.019213 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Fe",
"O"
],
"chemical_system": "Fe-O-V",
"density": 3.959429281114222,
"density_atomic": 0.08376976709790496,
"volume": 143.2497715551141,
"volume_molar": 7.188919067856177,
"formula_full": "V2 Fe2 O8",
"formula_reduced": "VFeO4",
"formula_anonymous": "ABC4",
"energy": -98.76418137000002,
"energy_per_atom": -8.2303484475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.35618137,
"band_gap": 1.7642,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.089000Z",
"spacegroup": 74
},
{
"id": "mp-1094393",
"created_at": "2022-09-04T14:39:35.110728Z",
"structure_string": "Y4 Mg2\n1.0\n3.021742 -5.233811 0.000000\n3.021742 5.233811 0.000000\n0.000000 0.000000 5.636683\nY Mg\n4 2\ndirect\n0.656181 0.000000 0.000000 Y\n0.343819 0.343819 0.000000 Y\n0.000000 0.656181 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.764889796494924,
"density_atomic": 0.03365287921514955,
"volume": 178.2908369189099,
"volume_molar": 17.894875269064666,
"formula_full": "Y4 Mg2",
"formula_reduced": "Y2Mg",
"formula_anonymous": "AB2",
"energy": -28.722171600000003,
"energy_per_atom": -4.7870286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.722171600000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0354456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.956000Z",
"spacegroup": 189
}
]
}