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"structure_string": "Pr1 Eu1 Nb1 Zn1 O6\n1.0\n-0.000000 -4.032463 -4.032463\n4.032463 -0.000000 -4.032463\n4.032463 -4.032463 0.000000\nPr Eu Nb Zn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 Zn\n0.752989 0.247011 0.247011 O\n0.247011 0.752989 0.752989 O\n0.752989 0.247011 0.752989 O\n0.247011 0.752989 0.247011 O\n0.752989 0.752989 0.247011 O\n0.247011 0.247011 0.752989 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Nb",
"Zn",
"O"
],
"chemical_system": "Eu-Nb-O-Pr-Zn",
"density": 6.928526233369559,
"density_atomic": 0.07625333291090924,
"volume": 131.14180873488536,
"volume_molar": 7.897544317224772,
"formula_full": "Pr1 Eu1 Nb1 Zn1 O6",
"formula_reduced": "PrEuNbZnO6",
"formula_anonymous": "ABCDE6",
"energy": -85.56665226999999,
"energy_per_atom": -8.556665227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.44465227,
"band_gap": 0.3793999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.588000Z",
"spacegroup": 216
},
{
"id": "mp-1519420",
"created_at": "2022-09-04T14:41:09.064823Z",
"structure_string": "Ba1 Sr1 Pr1 Nb1 O6\n1.0\n-0.000000 -4.351983 -4.351983\n4.351983 0.000000 -4.351983\n4.351983 -4.351983 -0.000000\nBa Sr Pr Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Nb\n0.768307 0.231693 0.231693 O\n0.231693 0.768307 0.768307 O\n0.768307 0.231693 0.768307 O\n0.231693 0.768307 0.231693 O\n0.768307 0.768307 0.231693 O\n0.231693 0.231693 0.768307 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr-Sr",
"density": 5.5880548289908365,
"density_atomic": 0.060660841922225324,
"volume": 164.85099255333833,
"volume_molar": 9.927558815819154,
"formula_full": "Ba1 Sr1 Pr1 Nb1 O6",
"formula_reduced": "BaSrPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.09862082999999,
"energy_per_atom": -8.109862083,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.97662083,
"band_gap": 2.8679,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.526000Z",
"spacegroup": 216
}
]
}