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{
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{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.65272653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.979507,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.086000Z",
"spacegroup": 12
},
{
"id": "mp-37014",
"created_at": "2022-09-04T14:48:23.188917Z",
"structure_string": "Gd2 Pa2 O8\n1.0\n-2.721718 2.721718 5.409705\n2.721718 -2.721718 5.409705\n2.721718 2.721718 -5.409705\nGd Pa O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Gd\n0.250000 0.750000 0.500000 Gd\n0.000000 0.000000 0.000000 Pa\n0.750000 0.250000 0.500000 Pa\n0.875000 0.360747 0.985747 O\n0.639253 0.125000 0.014253 O\n0.375000 0.360747 0.485747 O\n0.110747 0.625000 0.985747 O\n0.375000 0.889253 0.014253 O\n0.875000 0.889253 0.514253 O\n0.110747 0.125000 0.485747 O\n0.639253 0.625000 0.514253 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Pa",
"O"
],
"chemical_system": "Gd-O-Pa",
"density": 9.370655953745825,
"density_atomic": 0.07486199918664846,
"volume": 160.29494443611097,
"volume_molar": 8.044322654255327,
"formula_full": "Gd2 Pa2 O8",
"formula_reduced": "GdPaO4",
"formula_anonymous": "ABC4",
"energy": -136.52503772,
"energy_per_atom": -11.377086476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.02903772,
"band_gap": 2.0697,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.088000Z",
"spacegroup": 141
}
]
}