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{
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"created_at": "2022-09-04T14:46:09.028069Z",
"structure_string": "Sr2 Eu2 Nb2 Bi2 O12\n1.0\n5.893045 0.006545 -0.013351\n0.001397 6.091991 0.009287\n-0.026941 0.005369 8.445523\nSr Eu Nb Bi O\n2 2 2 2 12\ndirect\n0.987702 0.052232 0.250344 Sr\n0.012298 0.947768 0.749656 Sr\n0.516780 0.554317 0.248415 Eu\n0.483220 0.445683 0.751585 Eu\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n-0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.219450 0.183190 0.948678 O\n0.279564 0.683027 0.557063 O\n0.780550 0.816810 0.051322 O\n0.720436 0.316973 0.442937 O\n0.326472 0.718466 0.940372 O\n0.175841 0.221174 0.558020 O\n0.673528 0.281534 0.059628 O\n0.824159 0.778826 0.441980 O\n0.396813 0.957545 0.228744 O\n0.111899 0.465381 0.271874 O\n0.603187 0.042455 0.771256 O\n0.888101 0.534619 0.728126 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-Nb-O-Sr",
"density": 6.982565790233531,
"density_atomic": 0.06596417100136596,
"volume": 303.19489650807327,
"volume_molar": 9.12941172242625,
"formula_full": "Sr2 Eu2 Nb2 Bi2 O12",
"formula_reduced": "SrEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -168.39754146,
"energy_per_atom": -8.419877073,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.15354146,
"band_gap": 0.0453999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9856479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.403000Z",
"spacegroup": 2
},
{
"id": "mp-1517057",
"created_at": "2022-09-04T14:46:08.911519Z",
"structure_string": "K1 Sr1 Sm1 W1 O6\n1.0\n-0.000000 -4.247153 -4.247153\n4.247153 0.000000 -4.247153\n4.247153 -4.247153 0.000000\nK Sr Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.729975 0.270025 0.270025 O\n0.270025 0.729975 0.729975 O\n0.729975 0.270025 0.729975 O\n0.270025 0.729975 0.270025 O\n0.729975 0.729975 0.270025 O\n0.270025 0.270025 0.729975 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Sm",
"W",
"O"
],
"chemical_system": "K-O-Sm-Sr-W",
"density": 6.035511255503668,
"density_atomic": 0.0652643903128577,
"volume": 153.2229130167773,
"volume_molar": 9.227299498442694,
"formula_full": "K1 Sr1 Sm1 W1 O6",
"formula_reduced": "KSrSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.08301753,
"energy_per_atom": -7.908301753000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.52301753,
"band_gap": 2.8665000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.758000Z",
"spacegroup": 216
}
]
}