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"id": "mp-1186312",
"created_at": "2022-09-04T14:48:26.593558Z",
"structure_string": "Nd1 Np1 O3\n1.0\n4.495194 0.000000 0.000000\n0.000000 4.495194 0.000000\n0.000000 0.000000 4.495194\nNd Np O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Np",
"O"
],
"chemical_system": "Nd-Np-O",
"density": 7.847009308489407,
"density_atomic": 0.05504586315201147,
"volume": 90.83334720707875,
"volume_molar": 10.940224051659621,
"formula_full": "Nd1 Np1 O3",
"formula_reduced": "NdNpO3",
"formula_anonymous": "ABC3",
"energy": -44.93087799,
"energy_per_atom": -8.986175597999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.869877990000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.978307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:47.682000Z",
"spacegroup": 221
}
]
}