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{
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"structure_string": "Ba4 Na4 Tb4 Bi4 O24\n1.0\n8.680044 0.000000 0.000000\n0.000000 8.607387 0.000000\n0.000000 0.000000 8.680561\nBa Na Tb Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992301 0.218168 0.280273 O\n0.007699 0.781832 0.280273 O\n0.007699 0.218168 0.719727 O\n0.992301 0.781832 0.719727 O\n0.273361 0.993345 0.214171 O\n0.273361 0.006655 0.785829 O\n0.726639 0.006655 0.214171 O\n0.726639 0.993345 0.785829 O\n0.214885 0.271306 0.992329 O\n0.785115 0.271306 0.007671 O\n0.214885 0.728694 0.007671 O\n0.785115 0.728694 0.992329 O\n0.507699 0.281832 0.219727 O\n0.492301 0.718168 0.219727 O\n0.492301 0.281832 0.780273 O\n0.507699 0.718168 0.780273 O\n0.226639 0.506655 0.285829 O\n0.226639 0.493345 0.714171 O\n0.773361 0.493345 0.285829 O\n0.773361 0.506655 0.714171 O\n0.285115 0.228694 0.507671 O\n0.714885 0.228694 0.492329 O\n0.285115 0.771306 0.492329 O\n0.714885 0.771306 0.507671 O\n",
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{
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{
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{
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"structure_string": "Ba1 Ca1 Cu1 Bi1 O6\n1.0\n0.000000 -4.125202 -4.125202\n4.125202 -0.000000 -4.125202\n4.125202 -4.125202 0.000000\nBa Ca Cu Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 -0.000000 Bi\n0.739489 0.260511 0.260511 O\n0.260511 0.739489 0.739489 O\n0.739489 0.260511 0.739489 O\n0.260511 0.739489 0.260511 O\n0.739489 0.739489 0.260511 O\n0.260511 0.260511 0.739489 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:41:27.900631Z",
"structure_string": "K4 Sr4 Ce4 Sb4 O24\n1.0\n8.476302 0.000000 0.000000\n0.000000 8.446450 0.000000\n0.000000 0.000000 8.438187\nK Sr Ce Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.013003 0.224814 0.263341 O\n0.986997 0.775186 0.263341 O\n0.986997 0.224814 0.736659 O\n0.013003 0.775186 0.736659 O\n0.253018 0.012181 0.235833 O\n0.253018 0.987819 0.764167 O\n0.746982 0.987819 0.235833 O\n0.746982 0.012181 0.764167 O\n0.236947 0.262075 0.012699 O\n0.763053 0.262075 0.987301 O\n0.236947 0.737925 0.987301 O\n0.763053 0.737925 0.012699 O\n0.486997 0.275186 0.236659 O\n0.513003 0.724814 0.236659 O\n0.513003 0.275186 0.763341 O\n0.486997 0.724814 0.763341 O\n0.246982 0.487819 0.264167 O\n0.246982 0.512181 0.735833 O\n0.753018 0.512181 0.264167 O\n0.753018 0.487819 0.735833 O\n0.263053 0.237925 0.487301 O\n0.736947 0.237925 0.512699 O\n0.263053 0.762075 0.512699 O\n0.736947 0.762075 0.487301 O\n",
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"elements": [
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"density_atomic": 0.06621100934710643,
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"formula_full": "K4 Sr4 Ce4 Sb4 O24",
"formula_reduced": "KSrCeSbO6",
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"energy_uncorrected": -267.94645049,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:35:20.245000Z",
"spacegroup": 48
},
{
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"structure_string": "K1 Ca1 Gd1 W1 O6\n1.0\n0.000000 -4.206619 -4.206619\n4.206619 0.000000 -4.206619\n4.206619 -4.206619 0.000000\nK Ca Gd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 W\n0.731745 0.268255 0.268255 O\n0.268255 0.731745 0.731745 O\n0.731745 0.268255 0.731745 O\n0.268255 0.731745 0.268255 O\n0.731745 0.731745 0.268255 O\n0.268255 0.268255 0.731745 O\n",
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],
"chemical_system": "Ca-Gd-K-O-W",
"density": 5.758247304463145,
"density_atomic": 0.06716924505750901,
"volume": 148.87765958122935,
"volume_molar": 8.965622220175257,
"formula_full": "K1 Ca1 Gd1 W1 O6",
"formula_reduced": "KCaGdWO6",
"formula_anonymous": "ABCDE6",
"energy": -88.20455634,
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"total_magnetization": 6.9999999,
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"updated_at": "2021-11-28T01:35:20.751000Z",
"spacegroup": 216
}
]
}