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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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{
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{
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"created_at": "2022-09-04T14:43:23.269878Z",
"structure_string": "La1 Yb1 Au2\n1.0\n0.000000 3.688486 3.688486\n3.688486 0.000000 3.688486\n3.688486 3.688486 0.000000\nLa Yb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Yb",
"Au"
],
"chemical_system": "Au-La-Yb",
"density": 11.678974339110582,
"density_atomic": 0.03985525365395818,
"volume": 100.36318008987868,
"volume_molar": 15.110029940561972,
"formula_full": "La1 Yb1 Au2",
"formula_reduced": "LaYbAu2",
"formula_anonymous": "ABC2",
"energy": -16.62861334,
"energy_per_atom": -4.157153335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.62861334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.503000Z",
"spacegroup": 225
}
]
}