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"created_at": "2022-09-04T14:45:41.309232Z",
"structure_string": "Ba2 Sr2 Gd2 Sb2 O12\n1.0\n5.980787 -0.010449 -0.009283\n-0.013103 6.019549 -0.014860\n-0.016151 -0.023797 8.485202\nBa Sr Gd Sb O\n2 2 2 2 12\ndirect\n0.505249 0.521711 0.249570 Ba\n0.494751 0.478289 0.750430 Ba\n0.995006 0.030553 0.251409 Sr\n0.004994 0.969447 0.748591 Sr\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.234270 0.202619 0.963399 O\n0.261244 0.708454 0.529135 O\n0.765730 0.797381 0.036601 O\n0.738756 0.291546 0.470865 O\n0.293811 0.738054 0.967518 O\n0.199260 0.231335 0.534365 O\n0.706189 0.261946 0.032482 O\n0.800740 0.768665 0.465635 O\n0.428770 0.995627 0.233794 O\n0.054618 0.477754 0.265634 O\n0.571230 0.004373 0.766206 O\n0.945382 0.522246 0.734366 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Gd",
"Sb",
"O"
],
"chemical_system": "Ba-Gd-O-Sb-Sr",
"density": 6.52256004478812,
"density_atomic": 0.06547137614161402,
"volume": 305.47700657368455,
"volume_molar": 9.198127662650869,
"formula_full": "Ba2 Sr2 Gd2 Sb2 O12",
"formula_reduced": "BaSrGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.90623470000003,
"energy_per_atom": -8.195311735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.6622347,
"band_gap": 3.6256,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.910000Z",
"spacegroup": 2
},
{
"id": "mp-1518480",
"created_at": "2022-09-04T14:45:42.806679Z",
"structure_string": "Ca1 La1 Cr1 Bi1 O6\n1.0\n0.000000 -4.128089 -4.128089\n4.128089 0.000000 -4.128089\n4.128089 -4.128089 -0.000000\nCa La Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Bi\n0.739184 0.260816 0.260816 O\n0.260816 0.739184 0.739184 O\n0.739184 0.260816 0.739184 O\n0.260816 0.739184 0.260816 O\n0.739184 0.739184 0.260816 O\n0.260816 0.260816 0.739184 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Cr-La-O",
"density": 6.325595006979393,
"density_atomic": 0.07107597869570509,
"volume": 140.69451006524474,
"volume_molar": 8.472821437721406,
"formula_full": "Ca1 La1 Cr1 Bi1 O6",
"formula_reduced": "CaLaCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -74.31215906,
"energy_per_atom": -7.431215906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.19115906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8502351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.081000Z",
"spacegroup": 216
}
]
}