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{
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"structure_string": "Sr1 Ca1 Hf1 Nb1 O6\n1.0\n0.000000 -4.097277 -4.097277\n4.097277 0.000000 -4.097277\n4.097277 -4.097277 0.000000\nSr Ca Hf Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.748414 0.251586 0.251586 O\n0.251586 0.748414 0.748414 O\n0.748414 0.251586 0.748414 O\n0.251586 0.748414 0.251586 O\n0.748414 0.748414 0.251586 O\n0.251586 0.251586 0.748414 O\n",
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{
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{
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{
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{
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"formula_full": "Ba1 Ca1 Pr1 Bi1 O6",
"formula_reduced": "BaCaPrBiO6",
"formula_anonymous": "ABCDE6",
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"energy_uncorrected": -64.03550334,
"band_gap": 2.095,
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"is_magnetic": false,
"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:38:01.140000Z",
"spacegroup": 216
},
{
"id": "mp-1518836",
"created_at": "2022-09-04T14:45:12.495881Z",
"structure_string": "Ba4 Sr4 Eu4 W4 O24\n1.0\n8.551042 0.000000 0.000000\n0.000000 8.584878 0.000000\n0.000000 0.000000 8.555641\nBa Sr Eu W O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.752888 0.750136 0.751293 Eu\n0.247112 0.249864 0.751293 Eu\n0.247112 0.750136 0.248707 Eu\n0.752888 0.249864 0.248707 Eu\n0.245501 0.249518 0.251050 W\n0.754499 0.750482 0.251050 W\n0.754499 0.249518 0.748950 W\n0.245501 0.750482 0.748950 W\n0.022900 0.204948 0.284611 O\n0.977100 0.795052 0.284611 O\n0.977100 0.204948 0.715389 O\n0.022900 0.795052 0.715389 O\n0.282059 0.026411 0.208060 O\n0.282059 0.973589 0.791940 O\n0.717941 0.973589 0.208060 O\n0.717941 0.026411 0.791940 O\n0.207534 0.287174 0.026381 O\n0.792466 0.287174 0.973619 O\n0.207534 0.712826 0.973619 O\n0.792466 0.712826 0.026381 O\n0.474062 0.278207 0.228350 O\n0.525938 0.721793 0.228350 O\n0.525938 0.278207 0.771650 O\n0.474062 0.721793 0.771650 O\n0.213489 0.475218 0.285607 O\n0.213489 0.524782 0.714393 O\n0.786511 0.524782 0.285607 O\n0.786511 0.475218 0.714393 O\n0.274538 0.225193 0.477435 O\n0.725462 0.225193 0.522565 O\n0.274538 0.774807 0.522565 O\n0.725462 0.774807 0.477435 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Eu",
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],
"chemical_system": "Ba-Eu-O-Sr-W",
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"density_atomic": 0.06368751021222413,
"volume": 628.066631380456,
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"formula_full": "Ba4 Sr4 Eu4 W4 O24",
"formula_reduced": "BaSrEuWO6",
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"updated_at": "2021-11-28T01:36:51.293000Z",
"spacegroup": 16
}
]
}