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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.8223223,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:53.206000Z",
"spacegroup": 216
},
{
"id": "mp-1520463",
"created_at": "2022-09-04T14:45:08.311865Z",
"structure_string": "Sr1 Nd1 Zr1 Cr1 O6\n1.0\n0.000000 -4.038732 -4.038732\n4.038732 0.000000 -4.038732\n4.038732 -4.038732 0.000000\nSr Nd Zr Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 -0.000000 Cr\n0.756041 0.243959 0.243959 O\n0.243959 0.756041 0.756041 O\n0.756041 0.243959 0.756041 O\n0.243959 0.756041 0.243959 O\n0.756041 0.756041 0.243959 O\n0.243959 0.243959 0.756041 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-Nd-O-Sr-Zr",
"density": 5.937139850939875,
"density_atomic": 0.07589879798488205,
"volume": 131.75439223677634,
"volume_molar": 7.934434957981185,
"formula_full": "Sr1 Nd1 Zr1 Cr1 O6",
"formula_reduced": "SrNdZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -86.84826247999999,
"energy_per_atom": -8.684826247999998,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -80.72726247999998,
"band_gap": 2.4527,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.269000Z",
"spacegroup": 216
}
]
}