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{
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{
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{
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"structure_string": "Ta4 Ti4 Tl4 O20\n1.0\n3.823018 0.000000 0.000000\n0.000000 6.543502 0.000000\n0.000000 0.000000 19.161487\nTa Ti Tl O\n4 4 4 20\ndirect\n0.250000 0.775128 0.894133 Ta\n0.250000 0.275128 0.605867 Ta\n0.750000 0.224872 0.105867 Ta\n0.750000 0.724872 0.394133 Ta\n0.250000 0.318595 0.965454 Ti\n0.250000 0.818595 0.534546 Ti\n0.750000 0.681405 0.034546 Ti\n0.750000 0.181405 0.465454 Ti\n0.250000 0.771189 0.199548 Tl\n0.250000 0.271189 0.300452 Tl\n0.750000 0.228811 0.800452 Tl\n0.750000 0.728811 0.699548 Tl\n0.250000 0.647409 0.008875 O\n0.250000 0.147409 0.491125 O\n0.750000 0.352591 0.991125 O\n0.750000 0.852591 0.508875 O\n0.250000 0.236788 0.077946 O\n0.250000 0.736788 0.422054 O\n0.750000 0.763212 0.922054 O\n0.750000 0.263212 0.577946 O\n0.250000 0.468993 0.883346 O\n0.250000 0.968993 0.616654 O\n0.750000 0.531007 0.116654 O\n0.750000 0.031007 0.383346 O\n0.250000 0.833048 0.801090 O\n0.250000 0.333048 0.698910 O\n0.750000 0.166952 0.198910 O\n0.750000 0.666952 0.301090 O\n0.250000 0.066263 0.928509 O\n0.250000 0.566263 0.571491 O\n0.750000 0.933737 0.071491 O\n0.750000 0.433737 0.428509 O\n",
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"formula_full": "Ta4 Ti4 Tl4 O20",
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{
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"structure_string": "Nd2 C1 N2 O2\n1.0\n1.961475 -3.397374 0.000000\n1.961475 3.397374 0.000000\n0.000000 0.000000 8.369586\nNd C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.819586 Nd\n0.333333 0.666667 0.180414 Nd\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.352136 N\n0.000000 0.000000 0.647864 N\n0.666667 0.333333 0.103513 O\n0.333333 0.666667 0.896487 O\n",
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{
"id": "mp-1224288",
"created_at": "2022-09-04T14:43:06.450425Z",
"structure_string": "La12 Si4 Mo16 O56\n1.0\n6.117732 0.000000 0.000000\n0.000000 10.911704 0.000000\n0.000000 0.000000 18.283953\nLa Si Mo O\n12 4 16 56\ndirect\n0.746768 0.203429 0.029721 La\n0.746768 0.296571 0.529721 La\n0.246768 0.796571 0.970279 La\n0.246768 0.703429 0.470279 La\n0.753289 0.980046 0.841870 La\n0.753289 0.519954 0.341870 La\n0.253289 0.019954 0.158130 La\n0.253289 0.480046 0.658130 La\n0.750409 0.628700 0.832852 La\n0.750409 0.871300 0.332852 La\n0.250409 0.371300 0.167148 La\n0.250409 0.128700 0.667148 La\n0.747607 0.600314 0.556138 Si\n0.747607 0.899686 0.056138 Si\n0.247607 0.399686 0.443862 Si\n0.247607 0.100314 0.943862 Si\n0.751488 0.367944 0.702944 Mo\n0.751488 0.132056 0.202944 Mo\n0.251488 0.632056 0.297056 Mo\n0.251488 0.867944 0.797056 Mo\n0.490414 0.321884 0.847417 Mo\n0.008683 0.182137 0.343597 Mo\n0.990414 0.678116 0.152583 Mo\n0.508683 0.817863 0.656403 Mo\n0.508683 0.682137 0.156403 Mo\n0.990414 0.821884 0.652583 Mo\n0.008683 0.317863 0.843597 Mo\n0.490414 0.178116 0.347417 Mo\n0.748575 0.505168 0.003854 Mo\n0.248575 0.494832 0.996146 Mo\n0.248575 0.005168 0.496146 Mo\n0.748575 0.994832 0.503854 Mo\n0.259430 0.907605 0.595174 O\n0.259430 0.592395 0.095174 O\n0.759430 0.092395 0.404826 O\n0.759430 0.407605 0.904826 O\n0.518013 0.677132 0.573713 O\n0.976578 0.822949 0.072060 O\n0.018013 0.322868 0.426287 O\n0.476578 0.177051 0.927940 O\n0.476578 0.322949 0.427940 O\n0.018013 0.177132 0.926287 O\n0.976578 0.677051 0.572060 O\n0.518013 0.822868 0.073713 O\n0.755605 0.266481 0.290253 O\n0.755605 0.233519 0.790253 O\n0.255605 0.733519 0.709747 O\n0.255605 0.766481 0.209747 O\n0.746001 0.541236 0.474216 O\n0.746001 0.958764 0.974216 O\n0.246001 0.458764 0.525784 O\n0.246001 0.041236 0.025784 O\n0.498010 0.297540 0.647047 O\n0.003480 0.200403 0.146093 O\n0.998010 0.702460 0.352953 O\n0.503480 0.799597 0.853907 O\n0.503480 0.700403 0.353907 O\n0.998010 0.797540 0.852953 O\n0.003480 0.299597 0.646093 O\n0.498010 0.202460 0.147047 O\n0.500025 0.112720 0.541067 O\n0.998245 0.392669 0.044150 O\n0.000025 0.887280 0.458933 O\n0.498245 0.607331 0.955850 O\n0.498245 0.892669 0.455850 O\n0.000025 0.612720 0.958933 O\n0.998245 0.107331 0.544150 O\n0.500025 0.387280 0.041067 O\n0.239064 0.235623 0.784665 O\n0.239064 0.264377 0.284665 O\n0.739064 0.764377 0.215335 O\n0.739064 0.735623 0.715335 O\n0.024087 0.535856 0.235683 O\n0.480593 0.963289 0.735790 O\n0.524087 0.464144 0.764317 O\n0.980593 0.036711 0.264210 O\n0.980593 0.463289 0.764210 O\n0.524087 0.035856 0.264317 O\n0.480593 0.536711 0.235790 O\n0.024087 0.964144 0.735683 O\n0.743909 0.484761 0.613006 O\n0.743909 0.015239 0.113006 O\n0.243909 0.515239 0.386994 O\n0.243909 0.984761 0.886994 O\n0.233928 0.089066 0.400902 O\n0.233928 0.410934 0.900902 O\n0.733928 0.910934 0.599098 O\n0.733928 0.589066 0.099098 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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"structure_string": "Ho4 Mn34 C6\n1.0\n4.252015 -7.364706 0.000000\n4.252015 7.364706 0.000000\n0.000000 0.000000 8.280936\nHo Mn C\n4 34 6\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.388877 0.061156 0.250000 Mn\n0.611123 0.938844 0.750000 Mn\n0.938844 0.327720 0.250000 Mn\n0.061156 0.388877 0.750000 Mn\n0.061156 0.672280 0.750000 Mn\n0.938844 0.611123 0.250000 Mn\n0.672280 0.611123 0.250000 Mn\n0.327720 0.938844 0.750000 Mn\n0.327720 0.388877 0.750000 Mn\n0.672280 0.061156 0.250000 Mn\n0.611123 0.672280 0.750000 Mn\n0.388877 0.327720 0.250000 Mn\n0.333333 0.666667 0.606008 Mn\n0.666667 0.333333 0.393992 Mn\n0.666667 0.333333 0.106008 Mn\n0.333333 0.666667 0.893992 Mn\n0.169038 0.338076 0.025825 Mn\n0.830962 0.661924 0.974175 Mn\n0.661924 0.830962 0.025825 Mn\n0.830962 0.661924 0.525825 Mn\n0.338076 0.169038 0.974175 Mn\n0.169038 0.338076 0.474175 Mn\n0.169038 0.830962 0.025825 Mn\n0.338076 0.169038 0.525825 Mn\n0.830962 0.169038 0.974175 Mn\n0.661924 0.830962 0.474175 Mn\n0.830962 0.169038 0.525825 Mn\n0.169038 0.830962 0.474175 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.165301 0.330601 0.250000 C\n0.834699 0.669399 0.750000 C\n0.669399 0.834699 0.250000 C\n0.330601 0.165301 0.750000 C\n0.165301 0.834699 0.250000 C\n0.834699 0.165301 0.750000 C\n",
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{
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}