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{
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{
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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:36:02.729000Z",
"spacegroup": 12
},
{
"id": "mp-510188",
"created_at": "2022-09-04T14:42:57.335773Z",
"structure_string": "Hf12 Ga12\n1.0\n5.677723 0.000000 0.000000\n0.000000 8.553300 0.000000\n0.000000 0.000000 9.211140\nHf Ga\n12 12\ndirect\n0.000000 0.750000 0.111230 Hf\n0.500000 0.250000 0.888770 Hf\n0.000000 0.250000 0.888770 Hf\n0.500000 0.750000 0.111230 Hf\n0.750000 0.473401 0.617376 Hf\n0.250000 0.526599 0.382624 Hf\n0.750000 0.973401 0.382624 Hf\n0.250000 0.026599 0.617376 Hf\n0.750000 0.363478 0.192309 Hf\n0.250000 0.636522 0.807691 Hf\n0.750000 0.863478 0.807691 Hf\n0.250000 0.136522 0.192309 Hf\n0.000000 0.750000 0.565446 Ga\n0.500000 0.250000 0.434554 Ga\n0.000000 0.250000 0.434554 Ga\n0.500000 0.750000 0.565446 Ga\n0.750000 0.048058 0.085794 Ga\n0.250000 0.951942 0.914206 Ga\n0.750000 0.548058 0.914206 Ga\n0.250000 0.451942 0.085794 Ga\n0.750000 0.132078 0.650993 Ga\n0.250000 0.867922 0.349007 Ga\n0.750000 0.632078 0.349007 Ga\n0.250000 0.367922 0.650993 Ga\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hf",
"Ga"
],
"chemical_system": "Ga-Hf",
"density": 11.05690500671051,
"density_atomic": 0.05365249873565866,
"volume": 447.323061657314,
"volume_molar": 11.224343510393767,
"formula_full": "Hf12 Ga12",
"formula_reduced": "HfGa",
"formula_anonymous": "AB",
"energy": -167.98427192,
"energy_per_atom": -6.999344663333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.98427192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.214000Z",
"spacegroup": 57
}
]
}