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{
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{
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{
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{
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{
"id": "mp-557737",
"created_at": "2022-09-04T14:48:30.252028Z",
"structure_string": "Al8 Bi4 S16\n1.0\n7.687999 0.000000 0.000000\n0.000000 7.687999 0.000000\n0.000000 0.000000 12.031839\nAl Bi S\n8 4 16\ndirect\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.630684 Bi\n0.000000 0.000000 0.869316 Bi\n0.500000 0.500000 0.369316 Bi\n0.000000 0.000000 0.130684 Bi\n0.845659 0.339131 0.875074 S\n0.654341 0.839131 0.375074 S\n0.339131 0.845659 0.124926 S\n0.839131 0.654341 0.624926 S\n0.345659 0.160869 0.375074 S\n0.154341 0.660869 0.875074 S\n0.839131 0.345659 0.375074 S\n0.660869 0.154341 0.124926 S\n0.654341 0.160869 0.624926 S\n0.160869 0.345659 0.624926 S\n0.660869 0.845659 0.875074 S\n0.339131 0.154341 0.875074 S\n0.160869 0.654341 0.375074 S\n0.154341 0.339131 0.124926 S\n0.845659 0.660869 0.124926 S\n0.345659 0.839131 0.624926 S\n",
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{
"id": "mp-1214924",
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"structure_string": "Ag2 Sb2 O24\n1.0\n0.000000 5.259616 5.259616\n5.259616 0.000000 5.259616\n5.259616 5.259616 0.000000\nAg Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Sb\n0.894817 0.282496 0.282496 O\n0.282496 0.894817 0.540191 O\n0.282496 0.540191 0.894817 O\n0.282496 0.894817 0.282496 O\n0.355183 0.967504 0.709809 O\n0.355183 0.967504 0.967504 O\n0.540191 0.282496 0.282496 O\n0.540191 0.282496 0.894817 O\n0.967504 0.355183 0.967504 O\n0.967504 0.355183 0.709809 O\n0.894817 0.282496 0.540191 O\n0.967504 0.709809 0.967504 O\n0.967504 0.709809 0.355183 O\n0.282496 0.540191 0.282496 O\n0.709809 0.967504 0.355183 O\n0.709809 0.967504 0.967504 O\n0.282496 0.282496 0.894817 O\n0.540191 0.894817 0.282496 O\n0.282496 0.282496 0.540191 O\n0.894817 0.540191 0.282496 O\n0.709809 0.355183 0.967504 O\n0.967504 0.967504 0.355183 O\n0.355183 0.709809 0.967504 O\n0.967504 0.967504 0.709809 O\n",
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{
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"structure_string": "Nd8 Eu4 Be4 O20\n1.0\n6.609134 0.000000 0.000000\n0.000000 7.287868 0.000000\n0.000000 0.000000 9.608139\nNd Eu Be O\n8 4 4 20\ndirect\n0.096137 0.745598 0.523571 Nd\n0.403863 0.745598 0.023571 Nd\n0.903863 0.245598 0.476429 Nd\n0.596137 0.245598 0.976429 Nd\n0.922756 0.526306 0.172891 Nd\n0.077244 0.026306 0.827109 Nd\n0.422756 0.026306 0.327109 Nd\n0.577244 0.526306 0.672891 Nd\n0.583328 0.980328 0.675074 Eu\n0.416672 0.480328 0.324926 Eu\n0.083328 0.480328 0.824926 Eu\n0.916672 0.980328 0.175074 Eu\n0.691056 0.749416 0.400815 Be\n0.808944 0.749416 0.900815 Be\n0.308944 0.249416 0.599185 Be\n0.191056 0.249416 0.099185 Be\n0.164513 0.749114 0.277071 O\n0.335487 0.749114 0.777071 O\n0.835487 0.249114 0.722929 O\n0.664513 0.249114 0.222929 O\n0.634748 0.750427 0.228398 O\n0.865252 0.750427 0.728398 O\n0.365252 0.250427 0.771602 O\n0.134748 0.250427 0.271602 O\n0.020394 0.750208 0.990364 O\n0.479606 0.750208 0.490364 O\n0.979606 0.250208 0.009636 O\n0.520394 0.250208 0.509636 O\n0.311031 0.058798 0.067041 O\n0.194661 0.439805 0.566505 O\n0.688969 0.558798 0.932959 O\n0.805339 0.939805 0.433495 O\n0.694661 0.939805 0.933495 O\n0.811031 0.558798 0.432959 O\n0.305339 0.439805 0.066505 O\n0.188969 0.058798 0.567041 O\n",
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{
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"structure_string": "Mg12 Si12 Ni8 O48\n1.0\n-5.824663 5.824663 5.824663\n5.824663 -5.824663 5.824663\n5.824663 5.824663 -5.824663\nMg Si Ni O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.587611 0.897237 0.374643 O\n0.374643 0.587611 0.897237 O\n0.287032 0.309626 0.912389 O\n0.477406 0.602763 0.190374 O\n0.309626 0.897237 0.022594 O\n0.125357 0.022594 0.212968 O\n0.374643 0.287032 0.477406 O\n0.897237 0.374643 0.587611 O\n0.190374 0.212968 0.587611 O\n0.477406 0.374643 0.287032 O\n0.897237 0.022594 0.309626 O\n0.602763 0.912389 0.125357 O\n0.912389 0.125357 0.602763 O\n0.287032 0.477406 0.374643 O\n0.587611 0.190374 0.212968 O\n0.212968 0.587611 0.190374 O\n0.022594 0.309626 0.897237 O\n0.912389 0.287032 0.309626 O\n0.022594 0.212968 0.125357 O\n0.809626 0.787032 0.412389 O\n0.190374 0.477406 0.602763 O\n0.602763 0.190374 0.477406 O\n0.212968 0.125357 0.022594 O\n0.125357 0.602763 0.912389 O\n0.412389 0.102763 0.625357 O\n0.625357 0.412389 0.102763 O\n0.712968 0.690374 0.087611 O\n0.522594 0.397237 0.809626 O\n0.690374 0.102763 0.977406 O\n0.874643 0.977406 0.787032 O\n0.625357 0.712968 0.522594 O\n0.102763 0.625357 0.412389 O\n0.874643 0.397237 0.087611 O\n0.787032 0.874643 0.977406 O\n0.397237 0.809626 0.522594 O\n0.690374 0.087611 0.712968 O\n0.809626 0.522594 0.397237 O\n0.977406 0.787032 0.874643 O\n0.087611 0.712968 0.690374 O\n0.977406 0.690374 0.102763 O\n0.787032 0.412389 0.809626 O\n0.412389 0.809626 0.787032 O\n0.712968 0.522594 0.625357 O\n0.087611 0.874643 0.397237 O\n0.397237 0.087611 0.874643 O\n0.102763 0.977406 0.690374 O\n0.522594 0.625357 0.712968 O\n0.309626 0.912389 0.287032 O\n",
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.88070349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0381928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:00.033000Z",
"spacegroup": 194
}
]
}