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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.98639323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9819309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.250000Z",
"spacegroup": 65
},
{
"id": "mp-567814",
"created_at": "2022-09-04T14:46:22.910026Z",
"structure_string": "Pu6 Zn44\n1.0\n-4.433936 4.433936 10.604037\n4.433936 -4.433936 10.604037\n4.433936 4.433936 -10.604037\nPu Zn\n6 44\ndirect\n0.750000 0.250000 0.500000 Pu\n0.378123 0.378123 0.000000 Pu\n0.128123 0.628123 0.500000 Pu\n0.371877 0.871877 0.500000 Pu\n0.621877 0.621877 0.000000 Pu\n0.000000 0.000000 0.000000 Pu\n0.135861 0.289997 0.154136 Zn\n0.135861 0.981726 0.845864 Zn\n0.731726 0.385861 0.345864 Zn\n0.093361 0.243310 0.850052 Zn\n0.250503 0.969258 0.718755 Zn\n0.875000 0.125000 0.250000 Zn\n0.993310 0.343361 0.350052 Zn\n0.614139 0.960003 0.345864 Zn\n0.915765 0.445215 0.989199 Zn\n0.676565 0.165765 0.970549 Zn\n0.293984 0.323435 0.489199 Zn\n0.195215 0.165765 0.489199 Zn\n0.834235 0.804785 0.510801 Zn\n0.073435 0.543984 0.989199 Zn\n0.656639 0.006690 0.649948 Zn\n0.499497 0.718252 0.218755 Zn\n0.030742 0.749497 0.281245 Zn\n0.356742 0.006690 0.350052 Zn\n0.073435 0.084235 0.529451 Zn\n0.756690 0.606742 0.850052 Zn\n0.993310 0.643258 0.649948 Zn\n0.393258 0.243310 0.149948 Zn\n0.281748 0.500503 0.781245 Zn\n0.456016 0.926565 0.010801 Zn\n0.456016 0.445215 0.529451 Zn\n0.293984 0.804785 0.970549 Zn\n0.499497 0.280742 0.781245 Zn\n0.756690 0.906639 0.149948 Zn\n0.250503 0.531748 0.281245 Zn\n0.915765 0.926565 0.470549 Zn\n0.468252 0.749497 0.718755 Zn\n0.554785 0.084235 0.010801 Zn\n0.195215 0.706016 0.029451 Zn\n0.710003 0.864139 0.845864 Zn\n0.719258 0.500503 0.218755 Zn\n0.554785 0.543984 0.470549 Zn\n0.875000 0.125000 0.750000 Zn\n0.039997 0.385861 0.654136 Zn\n0.018274 0.864139 0.154136 Zn\n0.676565 0.706016 0.510801 Zn\n0.834235 0.323435 0.029451 Zn\n0.375000 0.125000 0.250000 Zn\n0.875000 0.625000 0.750000 Zn\n0.614139 0.268274 0.654136 Zn\n",
"nsites": 50,
"nelements": 2,
"elements": [
"Pu",
"Zn"
],
"chemical_system": "Pu-Zn",
"density": 8.646263174371606,
"density_atomic": 0.0599597672384592,
"volume": 833.8924966327949,
"volume_molar": 10.04363598686103,
"formula_full": "Pu6 Zn44",
"formula_reduced": "Pu3Zn22",
"formula_anonymous": "A3B22",
"energy": -149.28474666,
"energy_per_atom": -2.9856949332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.28474666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.89571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.177000Z",
"spacegroup": 141
}
]
}