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{
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{
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{
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"id": "mp-2714",
"created_at": "2022-09-04T14:44:58.949212Z",
"structure_string": "Pr8 Au4\n1.0\n5.152807 0.000000 0.000000\n0.000000 7.406205 0.000000\n0.000000 0.000000 9.423826\nPr Au\n8 4\ndirect\n0.250000 0.493004 0.174486 Pr\n0.750000 0.506996 0.825514 Pr\n0.250000 0.993004 0.325514 Pr\n0.750000 0.006996 0.674486 Pr\n0.750000 0.649922 0.413710 Pr\n0.250000 0.350078 0.586290 Pr\n0.750000 0.149922 0.086290 Pr\n0.250000 0.850078 0.913710 Pr\n0.250000 0.259144 0.903725 Au\n0.750000 0.740856 0.096275 Au\n0.250000 0.759144 0.596275 Au\n0.750000 0.240856 0.403725 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pr",
"Au"
],
"chemical_system": "Au-Pr",
"density": 8.842598794516725,
"density_atomic": 0.03336678647903556,
"volume": 359.63906825548315,
"volume_molar": 18.04830909858139,
"formula_full": "Pr8 Au4",
"formula_reduced": "Pr2Au",
"formula_anonymous": "AB2",
"energy": -57.79670896,
"energy_per_atom": -4.816392413333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.79670896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1184189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.844000Z",
"spacegroup": 62
}
]
}