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{
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{
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"chemical_system": "Ba-In-O-Sr-W",
"density": 7.119890864349481,
"density_atomic": 0.06920091690523618,
"volume": 144.5067557947825,
"volume_molar": 8.702400241671258,
"formula_full": "Ba1 Sr1 In1 W1 O6",
"formula_reduced": "BaSrInWO6",
"formula_anonymous": "ABCDE6",
"energy": -74.26866565,
"energy_per_atom": -7.426866565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.70866565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.011000Z",
"spacegroup": 216
},
{
"id": "mp-1518927",
"created_at": "2022-09-04T14:42:37.546193Z",
"structure_string": "Ba2 Sr2 Ce2 Bi2 O12\n1.0\n6.144148 -0.010764 -0.013933\n-0.005844 6.279155 0.013513\n-0.012996 0.025519 8.776325\nBa Sr Ce Bi O\n2 2 2 2 12\ndirect\n0.992700 0.035916 0.252750 Ba\n0.007300 0.964084 0.747250 Ba\n0.515106 0.542148 0.253175 Sr\n0.484894 0.457852 0.746825 Sr\n0.500000 -0.000000 0.000000 Ce\n-0.000000 0.500000 0.500000 Ce\n-0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.207321 0.223948 0.959745 O\n0.292126 0.692388 0.554264 O\n0.792679 0.776052 0.040255 O\n0.707874 0.307612 0.445736 O\n0.280390 0.701052 0.944962 O\n0.198550 0.216474 0.542310 O\n0.719610 0.298948 0.055038 O\n0.801450 0.783526 0.457690 O\n0.427224 0.951813 0.236944 O\n0.099897 0.487901 0.236337 O\n0.572776 0.048187 0.763056 O\n0.900103 0.512099 0.763663 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ce-O-Sr",
"density": 6.572173242958403,
"density_atomic": 0.059068957369217,
"volume": 338.5873204937037,
"volume_molar": 10.195102517821583,
"formula_full": "Ba2 Sr2 Ce2 Bi2 O12",
"formula_reduced": "BaSrCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -144.31270278,
"energy_per_atom": -7.215635139,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.06870278,
"band_gap": 0.1074000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.042000Z",
"spacegroup": 2
}
]
}