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{
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{
"id": "mp-1329459",
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"structure_string": "Mg12 Co8 Ge12 O48\n1.0\n-5.933145 5.933145 5.933145\n5.933145 -5.933145 5.933145\n5.933145 5.933145 -5.933145\nMg Co Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.420484 0.822769 0.795210 O\n0.874726 0.402286 0.079516 O\n0.097714 0.972440 0.677231 O\n0.527560 0.625274 0.704790 O\n0.677231 0.079516 0.704790 O\n0.625274 0.704790 0.527560 O\n0.625274 0.420484 0.097714 O\n0.704790 0.527560 0.625274 O\n0.822769 0.527560 0.402286 O\n0.972440 0.795210 0.874726 O\n0.795210 0.874726 0.972440 O\n0.704790 0.677231 0.079516 O\n0.420484 0.097714 0.625274 O\n0.402286 0.822769 0.527560 O\n0.079516 0.704790 0.677231 O\n0.097714 0.625274 0.420484 O\n0.527560 0.402286 0.822769 O\n0.079516 0.874726 0.402286 O\n0.972440 0.677231 0.097714 O\n0.177231 0.472440 0.597714 O\n0.677231 0.097714 0.972440 O\n0.795210 0.420484 0.822769 O\n0.402286 0.079516 0.874726 O\n0.874726 0.972440 0.795210 O\n0.579516 0.177231 0.204790 O\n0.125274 0.597714 0.920484 O\n0.902286 0.027560 0.322769 O\n0.472440 0.374726 0.295210 O\n0.322769 0.920484 0.295210 O\n0.374726 0.295210 0.472440 O\n0.374726 0.579516 0.902286 O\n0.295210 0.472440 0.374726 O\n0.125274 0.027560 0.204790 O\n0.597714 0.920484 0.125274 O\n0.204790 0.579516 0.177231 O\n0.177231 0.204790 0.579516 O\n0.322769 0.902286 0.027560 O\n0.027560 0.322769 0.902286 O\n0.920484 0.125274 0.597714 O\n0.472440 0.597714 0.177231 O\n0.902286 0.374726 0.579516 O\n0.920484 0.295210 0.322769 O\n0.597714 0.177231 0.472440 O\n0.579516 0.902286 0.374726 O\n0.295210 0.322769 0.920484 O\n0.204790 0.125274 0.027560 O\n0.027560 0.204790 0.125274 O\n0.822769 0.795210 0.420484 O\n",
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"formula_full": "Mg12 Co8 Ge12 O48",
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{
"id": "mp-1163929",
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"structure_string": "Al8 Si12 Sn12 O48\n1.0\n-6.159112 6.159112 6.159112\n6.159112 -6.159112 6.159112\n6.159112 6.159112 -6.159112\nAl Si Sn O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.750000 0.625000 Sn\n0.875000 0.625000 0.250000 Sn\n0.625000 0.875000 0.750000 Sn\n0.250000 0.875000 0.625000 Sn\n0.750000 0.625000 0.875000 Sn\n0.625000 0.250000 0.875000 Sn\n0.125000 0.250000 0.375000 Sn\n0.125000 0.375000 0.750000 Sn\n0.375000 0.125000 0.250000 Sn\n0.750000 0.125000 0.375000 Sn\n0.250000 0.375000 0.125000 Sn\n0.375000 0.750000 0.125000 Sn\n0.580440 0.888611 0.392868 O\n0.392868 0.580440 0.888611 O\n0.312428 0.308171 0.919560 O\n0.504257 0.611389 0.191829 O\n0.308171 0.888611 0.995743 O\n0.107132 0.995743 0.187572 O\n0.392868 0.312428 0.504257 O\n0.888611 0.392868 0.580440 O\n0.191829 0.187572 0.580440 O\n0.504257 0.392868 0.312428 O\n0.888611 0.995743 0.308171 O\n0.611389 0.919560 0.107132 O\n0.919560 0.107132 0.611389 O\n0.312428 0.504257 0.392868 O\n0.580440 0.191829 0.187572 O\n0.187572 0.580440 0.191829 O\n0.995743 0.308171 0.888611 O\n0.919560 0.312428 0.308171 O\n0.995743 0.187572 0.107132 O\n0.808171 0.812428 0.419560 O\n0.308171 0.919560 0.312428 O\n0.611389 0.191829 0.504257 O\n0.187572 0.107132 0.995743 O\n0.107132 0.611389 0.919560 O\n0.419560 0.111389 0.607132 O\n0.607132 0.419560 0.111389 O\n0.687572 0.691829 0.080440 O\n0.495743 0.388611 0.808171 O\n0.691829 0.111389 0.004257 O\n0.892868 0.004257 0.812428 O\n0.607132 0.687572 0.495743 O\n0.111389 0.607132 0.419560 O\n0.892868 0.388611 0.080440 O\n0.812428 0.892868 0.004257 O\n0.388611 0.808171 0.495743 O\n0.691829 0.080440 0.687572 O\n0.808171 0.495743 0.388611 O\n0.004257 0.812428 0.892868 O\n0.080440 0.687572 0.691829 O\n0.004257 0.691829 0.111389 O\n0.812428 0.419560 0.808171 O\n0.419560 0.808171 0.812428 O\n0.687572 0.495743 0.607132 O\n0.080440 0.892868 0.388611 O\n0.388611 0.080440 0.892868 O\n0.111389 0.004257 0.691829 O\n0.495743 0.607132 0.687572 O\n0.191829 0.504257 0.611389 O\n",
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{
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"structure_string": "Ca12 Ge12 Mo8 O48\n1.0\n-6.368724 6.368724 6.368724\n6.368724 -6.368724 6.368724\n6.368724 6.368724 -6.368724\nCa Ge Mo O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.250000 0.375000 Ca\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.412051 0.808584 0.789279 O\n0.877228 0.396533 0.087949 O\n0.103467 0.980695 0.691416 O\n0.519305 0.622772 0.710721 O\n0.691416 0.087949 0.710721 O\n0.622772 0.710721 0.519305 O\n0.622772 0.412051 0.103467 O\n0.710721 0.519305 0.622772 O\n0.808584 0.519305 0.396533 O\n0.980695 0.789279 0.877228 O\n0.789279 0.877228 0.980695 O\n0.710721 0.691416 0.087949 O\n0.412051 0.103467 0.622772 O\n0.396533 0.808584 0.519305 O\n0.087949 0.710721 0.691416 O\n0.103467 0.622772 0.412051 O\n0.519305 0.396533 0.808584 O\n0.087949 0.877228 0.396533 O\n0.980695 0.691416 0.103467 O\n0.191416 0.480695 0.603467 O\n0.691416 0.103467 0.980695 O\n0.789279 0.412051 0.808584 O\n0.396533 0.087949 0.877228 O\n0.877228 0.980695 0.789279 O\n0.587949 0.191416 0.210721 O\n0.122772 0.603467 0.912051 O\n0.896533 0.019305 0.308584 O\n0.480695 0.377228 0.289279 O\n0.308584 0.912051 0.289279 O\n0.377228 0.289279 0.480695 O\n0.377228 0.587949 0.896533 O\n0.289279 0.480695 0.377228 O\n0.122772 0.019305 0.210721 O\n0.603467 0.912051 0.122772 O\n0.210721 0.587949 0.191416 O\n0.191416 0.210721 0.587949 O\n0.308584 0.896533 0.019305 O\n0.019305 0.308584 0.896533 O\n0.912051 0.122772 0.603467 O\n0.480695 0.603467 0.191416 O\n0.896533 0.377228 0.587949 O\n0.912051 0.289279 0.308584 O\n0.603467 0.191416 0.480695 O\n0.587949 0.896533 0.377228 O\n0.289279 0.308584 0.912051 O\n0.210721 0.122772 0.019305 O\n0.019305 0.210721 0.122772 O\n0.808584 0.789279 0.412051 O\n",
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{
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"structure_string": "Li12 Cr12 Ni8 O48\n1.0\n9.226558 0.000000 0.000000\n0.000000 8.782289 0.000000\n0.000000 8.481539 12.390816\nLi Cr Ni O\n12 12 8 48\ndirect\n0.912437 0.380443 0.697802 Li\n0.490290 0.719165 0.341544 Li\n0.229598 0.987519 0.178940 Li\n0.729598 0.012481 0.321060 Li\n0.412437 0.619557 0.802198 Li\n0.990290 0.280835 0.158456 Li\n0.009710 0.719165 0.841544 Li\n0.587563 0.380443 0.197802 Li\n0.270402 0.987519 0.678940 Li\n0.770402 0.012481 0.821060 Li\n0.509710 0.280835 0.658456 Li\n0.087563 0.619557 0.302198 Li\n0.752153 0.549711 0.491412 Cr\n0.617810 0.264917 0.852149 Cr\n0.887149 0.971135 0.145106 Cr\n0.117810 0.735083 0.647851 Cr\n0.387149 0.028865 0.354894 Cr\n0.252153 0.450289 0.008588 Cr\n0.747847 0.549711 0.991412 Cr\n0.612851 0.971135 0.645106 Cr\n0.882190 0.264917 0.352149 Cr\n0.112851 0.028865 0.854894 Cr\n0.382190 0.735083 0.147851 Cr\n0.247847 0.450289 0.508588 Cr\n0.969457 0.357066 0.886956 Ni\n0.469457 0.642934 0.613044 Ni\n0.031724 0.880105 0.382177 Ni\n0.531724 0.119895 0.117823 Ni\n0.468276 0.880105 0.882177 Ni\n0.968276 0.119895 0.617823 Ni\n0.530543 0.357066 0.386956 Ni\n0.030543 0.642934 0.113044 Ni\n0.122379 0.613185 0.443766 O\n0.116691 0.149749 0.906765 O\n0.334304 0.453547 0.605094 O\n0.422687 0.878506 0.194070 O\n0.632920 0.511967 0.585516 O\n0.805950 0.280448 0.832586 O\n0.585483 0.147244 0.983120 O\n0.011490 0.876343 0.245422 O\n0.726161 0.979664 0.193612 O\n0.824093 0.758853 0.434770 O\n0.528442 0.470955 0.772187 O\n0.028442 0.529045 0.727813 O\n0.943232 0.188111 0.055600 O\n0.443232 0.811889 0.444400 O\n0.324093 0.241147 0.065230 O\n0.226161 0.020336 0.306388 O\n0.085483 0.852756 0.516880 O\n0.511490 0.123657 0.254578 O\n0.305950 0.719552 0.667414 O\n0.132920 0.488033 0.914484 O\n0.834304 0.546453 0.894906 O\n0.616691 0.850251 0.593235 O\n0.922687 0.121494 0.305930 O\n0.622379 0.386815 0.056234 O\n0.377621 0.613185 0.943766 O\n0.077313 0.878506 0.694070 O\n0.383309 0.149749 0.406765 O\n0.165696 0.453547 0.105094 O\n0.867080 0.511967 0.085516 O\n0.694050 0.280448 0.332586 O\n0.488510 0.876343 0.745422 O\n0.914517 0.147244 0.483120 O\n0.773839 0.979664 0.693612 O\n0.675907 0.758853 0.934770 O\n0.556768 0.188111 0.555600 O\n0.056768 0.811889 0.944400 O\n0.971558 0.470955 0.272187 O\n0.471558 0.529045 0.227813 O\n0.175907 0.241147 0.565230 O\n0.273839 0.020336 0.806388 O\n0.988510 0.123657 0.754578 O\n0.414517 0.852756 0.016880 O\n0.194050 0.719552 0.167414 O\n0.367080 0.488033 0.414484 O\n0.577313 0.121494 0.805930 O\n0.665696 0.546453 0.394906 O\n0.883309 0.850251 0.093235 O\n0.877621 0.386815 0.556234 O\n",
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