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"energy_uncorrected": -84.29484912999999,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:15.279000Z",
"spacegroup": 12
},
{
"id": "mp-2921",
"created_at": "2022-09-04T14:41:08.476836Z",
"structure_string": "Gd12 Ga20 O48\n1.0\n-6.275776 6.275776 6.275776\n6.275776 -6.275776 6.275776\n6.275776 6.275776 -6.275776\nGd Ga O\n12 20 48\ndirect\n0.125000 0.375000 0.750000 Gd\n0.375000 0.125000 0.250000 Gd\n0.375000 0.750000 0.125000 Gd\n0.125000 0.250000 0.375000 Gd\n0.750000 0.125000 0.375000 Gd\n0.250000 0.375000 0.125000 Gd\n0.875000 0.625000 0.250000 Gd\n0.625000 0.875000 0.750000 Gd\n0.625000 0.250000 0.875000 Gd\n0.875000 0.750000 0.625000 Gd\n0.250000 0.875000 0.625000 Gd\n0.750000 0.625000 0.875000 Gd\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.375000 0.625000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.625000 0.750000 0.375000 Ga\n0.875000 0.250000 0.125000 Ga\n0.750000 0.375000 0.625000 Ga\n0.250000 0.125000 0.875000 Ga\n0.625000 0.375000 0.250000 Ga\n0.875000 0.125000 0.750000 Ga\n0.375000 0.250000 0.625000 Ga\n0.125000 0.750000 0.875000 Ga\n0.250000 0.625000 0.375000 Ga\n0.750000 0.875000 0.125000 Ga\n0.025335 0.322437 0.902595 O\n0.919842 0.122741 0.597405 O\n0.580158 0.177563 0.202898 O\n0.474665 0.377259 0.297102 O\n0.322437 0.902595 0.025335 O\n0.122741 0.597405 0.919842 O\n0.177563 0.202898 0.580158 O\n0.377259 0.297102 0.474665 O\n0.902595 0.025335 0.322437 O\n0.597405 0.919842 0.122741 O\n0.202898 0.580158 0.177563 O\n0.297102 0.474665 0.377259 O\n0.974665 0.677563 0.097405 O\n0.080158 0.877259 0.402595 O\n0.419842 0.822437 0.797102 O\n0.525335 0.622741 0.702898 O\n0.677563 0.097405 0.974665 O\n0.877259 0.402595 0.080158 O\n0.822437 0.797102 0.419842 O\n0.622741 0.702898 0.525335 O\n0.097405 0.974665 0.677563 O\n0.402595 0.080158 0.877259 O\n0.797102 0.419842 0.822437 O\n0.702898 0.525335 0.622741 O\n0.525335 0.402595 0.822437 O\n0.419842 0.097405 0.622741 O\n0.080158 0.702898 0.677563 O\n0.974665 0.797102 0.877259 O\n0.822437 0.525335 0.402595 O\n0.622741 0.419842 0.097405 O\n0.677563 0.080158 0.702898 O\n0.877259 0.974665 0.797102 O\n0.402595 0.822437 0.525335 O\n0.097405 0.622741 0.419842 O\n0.702898 0.677563 0.080158 O\n0.797102 0.877259 0.974665 O\n0.474665 0.597405 0.177563 O\n0.580158 0.902595 0.377259 O\n0.919842 0.297102 0.322437 O\n0.025335 0.202898 0.122741 O\n0.177563 0.474665 0.597405 O\n0.377259 0.580158 0.902595 O\n0.322437 0.919842 0.297102 O\n0.122741 0.025335 0.202898 O\n0.597405 0.177563 0.474665 O\n0.902595 0.377259 0.580158 O\n0.297102 0.322437 0.919842 O\n0.202898 0.122741 0.025335 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Gd",
"Ga",
"O"
],
"chemical_system": "Ga-Gd-O",
"density": 6.801126125140842,
"density_atomic": 0.08091474944187817,
"volume": 988.6948986657218,
"volume_molar": 7.442574810573642,
"formula_full": "Gd12 Ga20 O48",
"formula_reduced": "Gd3Ga5O12",
"formula_anonymous": "A3B5C12",
"energy": -701.95450101,
"energy_per_atom": -8.774431262624999,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -668.97850101,
"band_gap": 3.396100000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 83.9766611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.816000Z",
"spacegroup": 230
}
]
}