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"id": "mp-1518907",
"created_at": "2022-09-04T14:42:58.129002Z",
"structure_string": "Ba2 Sr2 Dy2 Sb2 O12\n1.0\n5.962205 -0.010966 -0.008011\n-0.012427 5.961509 -0.008652\n-0.012796 -0.013614 8.427176\nBa Sr Dy Sb O\n2 2 2 2 12\ndirect\n0.504227 0.517489 0.249744 Ba\n0.495773 0.482511 0.750256 Ba\n0.996817 0.023157 0.250759 Sr\n0.003183 0.976843 0.749241 Sr\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.234139 0.205775 0.968567 O\n0.258485 0.714812 0.527607 O\n0.765861 0.794225 0.031433 O\n0.741515 0.285188 0.472393 O\n0.287214 0.739884 0.971000 O\n0.203782 0.231549 0.529776 O\n0.712786 0.260116 0.029000 O\n0.796218 0.768451 0.470224 O\n0.436520 0.996235 0.235894 O\n0.048158 0.485141 0.263592 O\n0.563480 0.003765 0.764106 O\n0.951842 0.514859 0.736408 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-O-Sb-Sr",
"density": 6.710252351238898,
"density_atomic": 0.06677107929044428,
"volume": 299.53087792699847,
"volume_molar": 9.019085544213809,
"formula_full": "Ba2 Sr2 Dy2 Sb2 O12",
"formula_reduced": "BaSrDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.79423131,
"energy_per_atom": -7.289711565499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.55023131,
"band_gap": 3.5497,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.218000Z",
"spacegroup": 2
},
{
"id": "mp-1522826",
"created_at": "2022-09-04T14:47:56.945684Z",
"structure_string": "Sr1 Eu1 Dy1 Sb1 O6\n1.0\n0.000000 -4.195909 -4.195909\n4.195909 -0.000000 -4.195909\n4.195909 -4.195909 -0.000000\nSr Eu Dy Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737405 0.262595 0.262595 O\n0.262595 0.737405 0.737405 O\n0.737405 0.262595 0.737405 O\n0.262595 0.737405 0.262595 O\n0.737405 0.737405 0.262595 O\n0.262595 0.262595 0.737405 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-Eu-O-Sb-Sr",
"density": 6.966598772084006,
"density_atomic": 0.0676849047568235,
"volume": 147.743430177345,
"volume_molar": 8.897317328932035,
"formula_full": "Sr1 Eu1 Dy1 Sb1 O6",
"formula_reduced": "SrEuDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.6707815,
"energy_per_atom": -8.06707815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.5487815,
"band_gap": 0.2673999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.914000Z",
"spacegroup": 216
}
]
}