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{
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{
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"structure_string": "Na24 Ti8 N16\n1.0\n9.735956 0.000000 0.000000\n6.490637 9.179147 0.000000\n-6.490637 4.589573 7.949375\nNa Ti N\n24 8 16\ndirect\n0.176736 0.076281 0.943701 Na\n0.823264 0.753016 0.556299 Na\n0.823264 0.423719 0.766966 Na\n0.176736 0.746984 0.733034 Na\n0.289334 0.766966 0.309315 Na\n0.710666 0.733034 0.019982 Na\n0.289334 0.943701 0.480018 Na\n0.710666 0.556299 0.190685 Na\n0.670703 0.019982 0.746984 Na\n0.670703 0.309315 0.423719 Na\n0.329297 0.190685 0.753016 Na\n0.329297 0.480018 0.076281 Na\n0.823264 0.923719 0.056299 Na\n0.176736 0.246984 0.443701 Na\n0.176736 0.576281 0.233034 Na\n0.823264 0.253016 0.266966 Na\n0.710666 0.233034 0.690685 Na\n0.289334 0.266966 0.980018 Na\n0.710666 0.056299 0.519982 Na\n0.289334 0.443701 0.809315 Na\n0.329297 0.980018 0.253016 Na\n0.329297 0.690685 0.576281 Na\n0.670703 0.809315 0.246984 Na\n0.670703 0.519982 0.923719 Na\n0.203411 0.000000 0.703411 Ti\n0.796589 0.703411 0.796589 Ti\n0.796589 0.500000 0.500000 Ti\n0.203411 0.796589 0.000000 Ti\n0.796589 0.000000 0.296589 Ti\n0.203411 0.296589 0.203411 Ti\n0.203411 0.500000 0.500000 Ti\n0.796589 0.203411 0.000000 Ti\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.898466 0.750000 N\n0.500000 0.601534 0.250000 N\n0.000000 0.250000 0.648466 N\n0.000000 0.750000 0.851534 N\n0.703068 0.648466 0.601534 N\n0.296932 0.851534 0.898466 N\n0.500000 0.101534 0.250000 N\n0.500000 0.398466 0.750000 N\n0.000000 0.750000 0.351534 N\n0.000000 0.250000 0.148466 N\n0.296932 0.351534 0.398466 N\n0.703068 0.148466 0.101534 N\n",
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{
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"structure_string": "V1 Zn6 P3 O16\n1.0\n-0.017180 5.408127 -0.014202\n0.011134 -0.022293 8.437580\n7.751631 2.685343 -2.370433\nV Zn P O\n1 6 3 16\ndirect\n0.586643 0.028596 0.241393 V\n0.958836 0.256230 0.994320 Zn\n0.064445 0.744845 0.996010 Zn\n0.017549 0.226715 0.376545 Zn\n0.392887 0.288853 0.636147 Zn\n0.973587 0.785039 0.629267 Zn\n0.604733 0.709838 0.373438 Zn\n0.836764 0.468088 0.756720 P\n0.408242 0.964730 0.755752 P\n0.165131 0.534575 0.243997 P\n0.406268 0.529257 0.300001 O\n0.705456 0.966781 0.702115 O\n0.592323 0.472258 0.703680 O\n0.253624 0.028419 0.301273 O\n0.066063 0.352663 0.598325 O\n0.658262 0.163053 0.421161 O\n0.937397 0.648166 0.404920 O\n0.338794 0.849692 0.594515 O\n0.802597 0.409569 0.914761 O\n0.722074 0.099946 0.068724 O\n0.203148 0.590297 0.084059 O\n0.282704 0.906832 0.914202 O\n0.738635 0.828006 0.197969 O\n0.931018 0.647989 0.792488 O\n0.281573 0.145525 0.792918 O\n0.071247 0.354040 0.205298 O\n",
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{
"id": "mp-1521832",
"created_at": "2022-09-04T14:40:24.232524Z",
"structure_string": "K4 Sr4 Tb4 Bi4 O24\n1.0\n8.639889 0.000000 0.000000\n0.000000 8.611083 0.000000\n0.000000 0.000000 8.695468\nK Sr Tb Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.000000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\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\n0.992966 0.224136 0.271338 O\n0.007034 0.775864 0.271338 O\n0.007034 0.224136 0.728662 O\n0.992966 0.775864 0.728662 O\n0.274624 0.992715 0.206784 O\n0.274624 0.007285 0.793216 O\n0.725376 0.007285 0.206784 O\n0.725376 0.992715 0.793216 O\n0.220743 0.261868 0.993026 O\n0.779257 0.261868 0.006974 O\n0.220743 0.738132 0.006974 O\n0.779257 0.738132 0.993026 O\n0.507034 0.275864 0.228662 O\n0.492966 0.724136 0.228662 O\n0.492966 0.275864 0.771338 O\n0.507034 0.724136 0.771338 O\n0.225376 0.507285 0.293216 O\n0.225376 0.492715 0.706784 O\n0.774624 0.492715 0.293216 O\n0.774624 0.507285 0.706784 O\n0.279257 0.238132 0.506974 O\n0.720743 0.238132 0.493026 O\n0.279257 0.761868 0.493026 O\n0.720743 0.761868 0.506974 O\n",
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{
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"structure_string": "Lu8 Si20 Ru12\n1.0\n10.677703 0.000000 0.000000\n0.000000 10.677703 0.000000\n0.000000 0.000000 5.560716\nLu Si Ru\n8 20 12\ndirect\n0.929311 0.236547 0.000000 Lu\n0.736547 0.429311 0.500000 Lu\n0.763453 0.929311 0.000000 Lu\n0.429311 0.263453 0.500000 Lu\n0.236547 0.070689 0.000000 Lu\n0.570689 0.736547 0.500000 Lu\n0.263453 0.570689 0.500000 Lu\n0.070689 0.763453 0.000000 Lu\n0.674645 0.174645 0.750000 Si\n0.174645 0.325355 0.250000 Si\n0.325355 0.825355 0.250000 Si\n0.819216 0.473927 0.000000 Si\n0.319216 0.026073 0.500000 Si\n0.500000 0.500000 0.743558 Si\n0.526073 0.819216 0.000000 Si\n0.500000 0.500000 0.256442 Si\n0.680784 0.973927 0.500000 Si\n0.174645 0.325355 0.750000 Si\n0.973927 0.319216 0.500000 Si\n0.180784 0.526073 0.000000 Si\n0.473927 0.180784 0.000000 Si\n0.000000 0.000000 0.243558 Si\n0.825355 0.674645 0.250000 Si\n0.026073 0.680784 0.500000 Si\n0.825355 0.674645 0.750000 Si\n0.000000 0.000000 0.756442 Si\n0.325355 0.825355 0.750000 Si\n0.674645 0.174645 0.250000 Si\n0.625159 0.355955 0.000000 Ru\n0.125159 0.144045 0.500000 Ru\n0.855955 0.125159 0.500000 Ru\n0.374841 0.644045 0.000000 Ru\n0.500000 0.000000 0.750000 Ru\n0.644045 0.625159 0.000000 Ru\n0.500000 0.000000 0.250000 Ru\n0.355955 0.374841 0.000000 Ru\n0.874841 0.855955 0.500000 Ru\n0.000000 0.500000 0.750000 Ru\n0.144045 0.874841 0.500000 Ru\n0.000000 0.500000 0.250000 Ru\n",
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{
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{
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"structure_string": "Nd2 Mn2 Fe2 Bi2 O12\n1.0\n5.645926 0.000000 0.000000\n0.000000 5.475153 0.000000\n0.000000 0.104798 7.912813\nNd Mn Fe Bi O\n2 2 2 2 12\ndirect\n0.448653 0.235853 0.501394 Nd\n0.948653 0.764147 0.498606 Nd\n0.499311 0.750469 0.748249 Mn\n0.999311 0.249531 0.251751 Mn\n0.499299 0.753868 0.248610 Fe\n0.999299 0.246132 0.751390 Fe\n0.553808 0.266317 0.001233 Bi\n0.053808 0.733683 0.998767 Bi\n0.466339 0.846898 0.985007 O\n0.966339 0.153102 0.014993 O\n0.530375 0.656776 0.512614 O\n0.030375 0.343224 0.487386 O\n0.297353 0.461973 0.794713 O\n0.797353 0.538027 0.205287 O\n0.722382 0.054066 0.308053 O\n0.222382 0.945934 0.691947 O\n0.706421 0.029775 0.698835 O\n0.206421 0.970225 0.301165 O\n0.276058 0.449886 0.196185 O\n0.776058 0.550114 0.803815 O\n",
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{
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"structure_string": "Li4 Nb4 Ge4 O20\n1.0\n6.791051 0.000000 0.000000\n0.000000 7.638314 0.000000\n0.000000 0.000000 7.919116\nLi Nb Ge O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.725748 0.163384 Nb\n0.250000 0.774252 0.663384 Nb\n0.750000 0.225748 0.336616 Nb\n0.750000 0.274252 0.836616 Nb\n0.750000 0.630645 0.130753 Ge\n0.750000 0.869355 0.630753 Ge\n0.250000 0.130645 0.369247 Ge\n0.250000 0.369355 0.869247 Ge\n0.959227 0.766217 0.124453 O\n0.250000 0.840096 0.885016 O\n0.750000 0.159904 0.114984 O\n0.750000 0.340096 0.614984 O\n0.250000 0.659904 0.385016 O\n0.040773 0.266217 0.375547 O\n0.540773 0.733783 0.624453 O\n0.250000 0.000170 0.555049 O\n0.250000 0.501716 0.685692 O\n0.750000 0.498284 0.314308 O\n0.750000 0.001716 0.814308 O\n0.250000 0.998284 0.185692 O\n0.750000 0.500170 0.944951 O\n0.750000 0.999830 0.444951 O\n0.959227 0.733783 0.624453 O\n0.250000 0.499830 0.055049 O\n0.540773 0.766217 0.124453 O\n0.040773 0.233783 0.875547 O\n0.459227 0.266217 0.375547 O\n0.459227 0.233783 0.875547 O\n",
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{
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{
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{
"id": "mp-556578",
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"structure_string": "Cd8 I16 O48\n1.0\n5.597489 0.000000 0.000000\n0.000000 11.348237 0.000000\n0.000000 0.000000 17.879559\nCd I O\n8 16 48\ndirect\n0.273366 0.632083 0.111491 Cd\n0.219669 0.849157 0.940703 Cd\n0.780331 0.349157 0.059297 Cd\n0.726634 0.632083 0.611491 Cd\n0.273366 0.132083 0.388509 Cd\n0.726634 0.132083 0.888509 Cd\n0.780331 0.849157 0.440703 Cd\n0.219669 0.349157 0.559297 Cd\n0.271702 0.376291 0.197201 I\n0.320673 0.363234 0.890784 I\n0.785323 0.607062 0.969901 I\n0.197718 0.621185 0.776716 I\n0.679327 0.863234 0.109216 I\n0.728298 0.376291 0.697201 I\n0.728298 0.876291 0.802799 I\n0.785323 0.107062 0.530099 I\n0.197718 0.121185 0.723284 I\n0.214677 0.607062 0.469901 I\n0.802282 0.121185 0.223284 I\n0.320673 0.863234 0.609216 I\n0.271702 0.876291 0.302799 I\n0.802282 0.621185 0.276716 I\n0.679327 0.363234 0.390784 I\n0.214677 0.107062 0.030099 I\n0.485198 0.795068 0.850252 O\n0.111963 0.434134 0.113698 O\n0.576882 0.518378 0.711017 O\n0.460209 0.801489 0.523377 O\n0.989482 0.691001 0.351079 O\n0.576882 0.018378 0.788983 O\n0.964907 0.693185 0.515454 O\n0.937756 0.465357 0.958030 O\n0.989482 0.191001 0.148921 O\n0.514802 0.795068 0.350252 O\n0.010518 0.191001 0.648921 O\n0.464380 0.290160 0.326583 O\n0.937756 0.965357 0.541970 O\n0.539791 0.801489 0.023376 O\n0.960335 0.183478 0.304258 O\n0.888037 0.934134 0.886302 O\n0.039665 0.183478 0.804258 O\n0.464380 0.790160 0.173417 O\n0.039665 0.683478 0.695742 O\n0.960335 0.683478 0.195742 O\n0.443799 0.512982 0.890732 O\n0.535620 0.290160 0.826583 O\n0.535620 0.790160 0.673417 O\n0.625610 0.053344 0.445886 O\n0.077153 0.470012 0.779178 O\n0.556201 0.012982 0.109268 O\n0.556201 0.512982 0.390732 O\n0.443799 0.012982 0.609268 O\n0.625610 0.553344 0.054114 O\n0.374390 0.553344 0.554114 O\n0.010518 0.691001 0.851079 O\n0.111963 0.934134 0.386302 O\n0.964907 0.193185 0.984546 O\n0.035093 0.193185 0.484546 O\n0.374390 0.053344 0.945886 O\n0.922847 0.470012 0.279178 O\n0.035093 0.693185 0.015454 O\n0.062244 0.965357 0.041970 O\n0.077153 0.970012 0.720822 O\n0.423118 0.018378 0.288983 O\n0.423118 0.518378 0.211017 O\n0.922847 0.970012 0.220822 O\n0.485198 0.295068 0.649748 O\n0.539791 0.301489 0.476623 O\n0.514802 0.295068 0.149748 O\n0.888037 0.434134 0.613698 O\n0.460209 0.301489 0.976623 O\n0.062244 0.465357 0.458030 O\n",
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{
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"structure_string": "Mg6 Ti1 V1 O8\n1.0\n8.637903 0.000000 0.000000\n0.000000 4.287982 0.000000\n0.000000 0.000000 4.287982\nMg Ti V O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252008 0.000000 0.500000 Mg\n0.747992 0.000000 0.500000 Mg\n0.252008 0.500000 0.000000 Mg\n0.747992 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 V\n0.254985 0.000000 0.000000 O\n0.745015 0.000000 0.000000 O\n0.255612 0.500000 0.500000 O\n0.744388 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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}