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{
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{
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"structure_string": "Th4 Cr4 B16\n1.0\n3.632463 0.000000 0.000000\n0.000000 6.040535 0.000000\n0.000000 0.000000 11.679574\nTh Cr B\n4 4 16\ndirect\n0.500000 0.123327 0.848820 Th\n0.500000 0.876673 0.151180 Th\n0.500000 0.623327 0.651180 Th\n0.500000 0.376673 0.348820 Th\n0.500000 0.122868 0.581972 Cr\n0.500000 0.877132 0.418028 Cr\n0.500000 0.622868 0.918028 Cr\n0.500000 0.377132 0.081972 Cr\n0.000000 0.276252 0.681499 B\n0.000000 0.723748 0.318501 B\n0.000000 0.776252 0.818501 B\n0.000000 0.223748 0.181499 B\n0.000000 0.389300 0.955194 B\n0.000000 0.610700 0.044806 B\n0.000000 0.889300 0.544806 B\n0.000000 0.110700 0.455194 B\n0.000000 0.142937 0.033148 B\n0.000000 0.857063 0.966852 B\n0.000000 0.642937 0.466852 B\n0.000000 0.357063 0.533148 B\n0.000000 0.024248 0.312365 B\n0.000000 0.975752 0.687635 B\n0.000000 0.524248 0.187635 B\n0.000000 0.475752 0.812365 B\n",
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{
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"structure_string": "Pr3 Er1 Mn6 Fe2 Co26\n1.0\n4.224635 2.438253 4.122496\n-4.224635 2.438253 4.122496\n0.000000 -9.762180 8.250525\nPr Er Mn Fe Co\n3 1 6 2 26\ndirect\n0.657574 0.657574 0.828599 Pr\n0.343185 0.343185 0.171645 Pr\n0.341906 0.341906 0.670741 Pr\n0.660019 0.660019 0.330235 Er\n0.001535 0.001535 0.248099 Mn\n0.002768 0.002768 0.747171 Mn\n0.001886 0.495770 0.500208 Mn\n0.002341 0.494896 0.001993 Mn\n0.494896 0.002341 0.001993 Mn\n0.495770 0.001886 0.500208 Mn\n0.905794 0.905794 0.452521 Fe\n0.907044 0.907044 0.953989 Fe\n0.288072 0.713832 0.498127 Co\n0.282879 0.716217 0.001201 Co\n0.713402 0.997675 0.144630 Co\n0.716435 0.000773 0.640790 Co\n0.999017 0.286853 0.356915 Co\n0.999736 0.284224 0.858206 Co\n0.286853 0.999017 0.356915 Co\n0.284224 0.999736 0.858206 Co\n0.997675 0.713402 0.144630 Co\n0.000773 0.716435 0.640790 Co\n0.716217 0.282879 0.001201 Co\n0.713832 0.288072 0.498127 Co\n0.347110 0.347110 0.419617 Co\n0.344211 0.344211 0.920477 Co\n0.346602 0.839548 0.174152 Co\n0.344592 0.840466 0.671342 Co\n0.839548 0.346602 0.174152 Co\n0.840466 0.344592 0.671342 Co\n0.656170 0.656170 0.080296 Co\n0.655694 0.655694 0.574911 Co\n0.655889 0.155236 0.327938 Co\n0.656310 0.155399 0.828159 Co\n0.155236 0.655889 0.327938 Co\n0.155399 0.656310 0.828159 Co\n0.094183 0.094183 0.048433 Co\n0.094755 0.094755 0.545944 Co\n",
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{
"id": "mp-1203489",
"created_at": "2022-09-04T14:43:18.115985Z",
"structure_string": "Al39 Rh12\n1.0\n0.000000 -8.330023 0.000000\n-7.462608 4.165011 2.483711\n-0.059606 0.000000 -12.912296\nAl Rh\n39 12\ndirect\n0.070944 0.141888 0.176121 Al\n0.929056 0.858112 0.823879 Al\n0.325663 0.651326 0.285559 Al\n0.674337 0.348674 0.714441 Al\n0.237904 0.475809 0.520234 Al\n0.762096 0.524191 0.479766 Al\n0.076359 0.152718 0.581074 Al\n0.923641 0.847282 0.418926 Al\n0.244368 0.488735 0.978098 Al\n0.755632 0.511265 0.021902 Al\n0.482029 0.964057 0.830357 Al\n0.517971 0.035943 0.169643 Al\n0.500000 0.000000 0.500000 Al\n0.300584 0.601167 0.769571 Al\n0.699416 0.398833 0.230429 Al\n0.086567 0.173134 0.785222 Al\n0.913433 0.826866 0.214778 Al\n0.965920 0.368314 0.114304 Al\n0.402394 0.368314 0.114304 Al\n0.034080 0.631686 0.885696 Al\n0.597606 0.631686 0.885696 Al\n0.152896 0.737544 0.110003 Al\n0.584648 0.737544 0.110003 Al\n0.847104 0.262456 0.889997 Al\n0.415352 0.262456 0.889997 Al\n0.959138 0.355414 0.329986 Al\n0.396276 0.355414 0.329986 Al\n0.040862 0.644586 0.670014 Al\n0.603724 0.644586 0.670014 Al\n0.261431 0.981993 0.327485 Al\n0.720562 0.981993 0.327485 Al\n0.738569 0.018007 0.672515 Al\n0.279438 0.018007 0.672515 Al\n0.141157 0.722776 0.480623 Al\n0.581619 0.722776 0.480623 Al\n0.858843 0.277224 0.519377 Al\n0.418381 0.277224 0.519377 Al\n0.750756 0.000000 0.000000 Al\n0.249244 0.000000 0.000000 Al\n0.081854 0.163709 0.385568 Rh\n0.918146 0.836291 0.614432 Rh\n0.397813 0.795626 0.627625 Rh\n0.602187 0.204374 0.372375 Rh\n0.089942 0.179884 0.979130 Rh\n0.910058 0.820116 0.020870 Rh\n0.398391 0.796783 0.977683 Rh\n0.601609 0.203217 0.022317 Rh\n0.038446 0.645222 0.280816 Rh\n0.606775 0.645222 0.280816 Rh\n0.961554 0.354778 0.719184 Rh\n0.393225 0.354778 0.719184 Rh\n",
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"formula_full": "Al39 Rh12",
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{
"id": "mp-769015",
"created_at": "2022-09-04T14:43:18.123036Z",
"structure_string": "Dy6 Ga6 O18\n1.0\n3.060494 -5.300931 0.000000\n3.060494 5.300931 0.000000\n0.000000 0.000000 11.720400\nDy Ga O\n6 6 18\ndirect\n0.333333 0.666667 0.229510 Dy\n0.000000 0.000000 0.271307 Dy\n0.000000 0.000000 0.771307 Dy\n0.333333 0.666667 0.729510 Dy\n0.666667 0.333333 0.729510 Dy\n0.666667 0.333333 0.229510 Dy\n0.000000 0.665747 0.496724 Ga\n0.000000 0.334253 0.996724 Ga\n0.334253 0.334253 0.496724 Ga\n0.665747 0.665747 0.996724 Ga\n0.334253 0.000000 0.996724 Ga\n0.665747 0.000000 0.496724 Ga\n0.000000 0.693192 0.659426 O\n0.000000 0.640690 0.335223 O\n0.000000 0.359310 0.835223 O\n0.000000 0.306808 0.159426 O\n0.333333 0.666667 0.016546 O\n0.333333 0.666667 0.516546 O\n0.000000 0.000000 0.473769 O\n0.000000 0.000000 0.973769 O\n0.306808 0.306808 0.659426 O\n0.359310 0.359310 0.335223 O\n0.306808 0.000000 0.159426 O\n0.640690 0.640690 0.835223 O\n0.693192 0.693192 0.159426 O\n0.359310 0.000000 0.835223 O\n0.666667 0.333333 0.516546 O\n0.666667 0.333333 0.016546 O\n0.640690 0.000000 0.335223 O\n0.693192 0.000000 0.659426 O\n",
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{
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{
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{
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{
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{
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"formula_full": "Al1 Ni1 O3",
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{
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"structure_string": "Mn12 O10 F14\n1.0\n4.676755 0.070768 0.025627\n0.078771 5.746153 -0.001371\n0.082548 -0.005815 15.673205\nMn O F\n12 10 14\ndirect\n0.014864 0.176336 0.419373 Mn\n0.019982 0.845019 0.243031 Mn\n0.034282 0.166783 0.081337 Mn\n0.004468 0.149755 0.740797 Mn\n0.024166 0.857125 0.576941 Mn\n0.020756 0.860594 0.911271 Mn\n0.484696 0.339320 0.588733 Mn\n0.503602 0.326890 0.928393 Mn\n0.510740 0.352303 0.252813 Mn\n0.489944 0.640813 0.085032 Mn\n0.496091 0.641264 0.422399 Mn\n0.497347 0.647234 0.752181 Mn\n0.212922 0.106779 0.633930 O\n0.220137 0.116605 0.972440 O\n0.235504 0.886937 0.134045 O\n0.224500 0.891026 0.470303 O\n0.227165 0.887347 0.798434 O\n0.288650 0.394310 0.148155 O\n0.282713 0.401045 0.483033 O\n0.724992 0.381841 0.030615 O\n0.722264 0.387825 0.362307 O\n0.705439 0.372842 0.694521 O\n0.234726 0.115822 0.304613 F\n0.259081 0.608942 0.309616 F\n0.252049 0.607628 0.646493 F\n0.267611 0.385045 0.817473 F\n0.254343 0.613175 0.972956 F\n0.737430 0.617907 0.197869 F\n0.751578 0.621373 0.534532 F\n0.728851 0.615099 0.863823 F\n0.782788 0.126996 0.189509 F\n0.748015 0.119881 0.523683 F\n0.757622 0.878852 0.357111 F\n0.751899 0.871616 0.021983 F\n0.767071 0.120078 0.848827 F\n0.761710 0.867593 0.681426 F\n",
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