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"structure_string": "V10 Bi6\n1.0\n5.350945 0.000000 1.912144\n2.675472 7.456711 0.956072\n0.166238 0.000000 7.977916\nV Bi\n10 6\ndirect\n0.578235 0.647408 0.196122 V\n0.421765 0.352592 0.803878 V\n0.774357 0.803878 0.647408 V\n0.225643 0.196122 0.352592 V\n0.921765 0.803878 0.352592 V\n0.274357 0.647408 0.803878 V\n0.250000 0.500000 0.500000 V\n0.750000 0.500000 0.500000 V\n0.078235 0.196122 0.647408 V\n0.725643 0.352592 0.196122 V\n0.826776 0.500000 0.846449 Bi\n0.673224 0.153551 0.500000 Bi\n0.326776 0.846449 0.500000 Bi\n0.173224 0.500000 0.153551 Bi\n0.750000 0.000000 0.000000 Bi\n0.250000 0.000000 0.000000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-V",
"density": 9.267302136720685,
"density_atomic": 0.0506405764128657,
"volume": 315.95216984803227,
"volume_molar": 11.891927751576738,
"formula_full": "V10 Bi6",
"formula_reduced": "V5Bi3",
"formula_anonymous": "A3B5",
"energy": -107.01069078,
"energy_per_atom": -6.68816817375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.01069078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.87951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.729000Z",
"spacegroup": 140
},
{
"id": "mp-672217",
"created_at": "2022-09-04T14:42:26.848010Z",
"structure_string": "La20 Ga12\n1.0\n8.090442 0.000000 0.000000\n0.000000 8.090442 0.000000\n0.000000 0.000000 14.808620\nLa Ga\n20 12\ndirect\n0.500000 0.000000 0.780665 La\n0.338916 0.315649 0.101838 La\n0.838916 0.815649 0.898162 La\n0.000000 0.500000 0.219335 La\n0.838916 0.184351 0.398162 La\n0.161084 0.184351 0.898162 La\n0.661084 0.684351 0.101838 La\n0.000000 0.500000 0.719335 La\n0.815649 0.838916 0.601838 La\n0.315649 0.338916 0.398162 La\n0.184351 0.838916 0.101838 La\n0.184351 0.161084 0.601838 La\n0.815649 0.161084 0.101838 La\n0.338916 0.684351 0.601838 La\n0.500000 0.000000 0.280665 La\n0.684351 0.338916 0.898162 La\n0.661084 0.315649 0.601838 La\n0.315649 0.661084 0.898162 La\n0.161084 0.815649 0.398162 La\n0.684351 0.661084 0.398162 La\n0.617113 0.382887 0.250000 Ga\n0.882887 0.117113 0.750000 Ga\n0.500000 0.000000 0.495464 Ga\n0.882887 0.882887 0.250000 Ga\n0.000000 0.500000 0.004536 Ga\n0.117113 0.882887 0.750000 Ga\n0.382887 0.382887 0.750000 Ga\n0.117113 0.117113 0.250000 Ga\n0.382887 0.617113 0.250000 Ga\n0.617113 0.617113 0.750000 Ga\n0.500000 0.000000 0.995464 Ga\n0.000000 0.500000 0.504536 Ga\n",
"nsites": 32,
"nelements": 2,
"elements": [
"La",
"Ga"
],
"chemical_system": "Ga-La",
"density": 6.1925928989724435,
"density_atomic": 0.0330134484839967,
"volume": 969.3019502495182,
"volume_molar": 18.24147744795349,
"formula_full": "La20 Ga12",
"formula_reduced": "La5Ga3",
"formula_anonymous": "A3B5",
"energy": -149.82783101,
"energy_per_atom": -4.6821197190625,
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"total_magnetization": 1.7223755,
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"updated_at": "2021-11-28T01:35:51.217000Z",
"spacegroup": 130
}
]
}