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"created_at": "2022-09-04T14:45:09.170417Z",
"structure_string": "Pr6 Ge10\n1.0\n0.000000 7.110196 9.042928\n3.004461 0.000000 9.042928\n3.004461 7.110196 0.000000\nPr Ge\n6 10\ndirect\n0.126381 0.038436 0.491633 Pr\n0.491633 0.343550 0.126381 Pr\n0.211564 0.123619 0.906450 Pr\n0.906450 0.758367 0.211564 Pr\n0.552131 0.447869 0.552131 Pr\n0.802131 0.697869 0.802131 Pr\n0.799333 0.526188 0.475540 Ge\n0.475540 0.198938 0.799333 Ge\n0.723812 0.450667 0.051062 Ge\n0.051062 0.774460 0.723812 Ge\n0.330846 0.303984 0.586513 Ge\n0.586513 0.778657 0.330846 Ge\n0.946016 0.919154 0.471343 Ge\n0.471343 0.663487 0.946016 Ge\n0.996122 0.003878 0.996122 Ge\n0.246122 0.253878 0.246122 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pr",
"Ge"
],
"chemical_system": "Ge-Pr",
"density": 6.755723273614994,
"density_atomic": 0.041412626012132095,
"volume": 386.3556007125145,
"volume_molar": 14.541798818156991,
"formula_full": "Pr6 Ge10",
"formula_reduced": "Pr3Ge5",
"formula_anonymous": "A3B5",
"energy": -86.63158238,
"energy_per_atom": -5.41447389875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.63158238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.233000Z",
"spacegroup": 43
}
]
}