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{
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"structure_string": "Ca4 Ni4 Sn4 P8 O36\n1.0\n6.608334 0.000000 0.000000\n0.000000 7.771745 0.000000\n0.000000 0.000000 14.321252\nCa Ni Sn P O\n4 4 4 8 36\ndirect\n0.250000 0.917457 0.290709 Ca\n0.250000 0.582543 0.790709 Ca\n0.750000 0.082543 0.709291 Ca\n0.750000 0.417457 0.209291 Ca\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.250000 0.346130 0.382947 Sn\n0.750000 0.653870 0.617053 Sn\n0.750000 0.846130 0.117053 Sn\n0.250000 0.153870 0.882947 Sn\n0.750000 0.349794 0.433434 P\n0.250000 0.650206 0.566566 P\n0.250000 0.849794 0.066566 P\n0.750000 0.150206 0.933434 P\n0.250000 0.381332 0.188903 P\n0.750000 0.618668 0.811097 P\n0.750000 0.881332 0.311097 P\n0.250000 0.118668 0.688903 P\n0.555371 0.605823 0.868812 O\n0.055371 0.394177 0.131188 O\n0.444629 0.105823 0.631188 O\n0.944629 0.894177 0.368812 O\n0.444629 0.394177 0.131188 O\n0.944629 0.605823 0.868812 O\n0.555371 0.894177 0.368812 O\n0.055371 0.105823 0.631188 O\n0.750000 0.326464 0.980823 O\n0.250000 0.673536 0.019177 O\n0.250000 0.826464 0.519177 O\n0.750000 0.173536 0.480823 O\n0.250000 0.115419 0.438086 O\n0.750000 0.884581 0.561914 O\n0.750000 0.615419 0.061914 O\n0.250000 0.384581 0.938086 O\n0.250000 0.210640 0.248066 O\n0.750000 0.789360 0.751934 O\n0.750000 0.710640 0.251934 O\n0.250000 0.289360 0.748066 O\n0.932759 0.130130 0.864949 O\n0.432759 0.869870 0.135051 O\n0.067241 0.630130 0.635051 O\n0.567241 0.369870 0.364949 O\n0.067241 0.869870 0.135051 O\n0.567241 0.130130 0.864949 O\n0.932759 0.369870 0.364949 O\n0.432759 0.630130 0.635051 O\n0.250000 0.977953 0.770360 O\n0.750000 0.022047 0.229640 O\n0.750000 0.477953 0.729640 O\n0.250000 0.522047 0.270360 O\n0.250000 0.996025 0.995171 O\n0.750000 0.003975 0.004829 O\n0.750000 0.496025 0.504829 O\n0.250000 0.503975 0.495171 O\n",
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"formula_full": "Ca4 Ni4 Sn4 P8 O36",
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{
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"structure_string": "Pu6 Co3\n1.0\n3.613965 -6.259572 0.000000\n3.613965 6.259572 0.000000\n0.000000 0.000000 4.036783\nPu Co\n6 3\ndirect\n0.577084 0.000000 0.500000 Pu\n0.422916 0.422916 0.500000 Pu\n0.000000 0.577084 0.500000 Pu\n0.000000 0.255182 0.000000 Pu\n0.744818 0.744818 0.000000 Pu\n0.255182 0.000000 0.000000 Pu\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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{
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"structure_string": "Tl4 Fe6 S8\n1.0\n-2.593541 5.298937 6.451449\n2.593541 -5.298937 6.451449\n2.593541 5.298937 -6.451449\nTl Fe S\n4 6 8\ndirect\n0.130073 0.251727 0.381800 Tl\n0.369927 0.751727 0.121654 Tl\n0.630073 0.248273 0.878346 Tl\n0.869927 0.748273 0.618200 Tl\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.505392 0.250000 0.255392 Fe\n0.994608 0.250000 0.744608 Fe\n0.005392 0.750000 0.255392 Fe\n0.494608 0.750000 0.744608 Fe\n0.539971 0.419731 0.630746 S\n0.960029 0.590775 0.879760 S\n0.711015 0.080269 0.120240 S\n0.788985 0.909225 0.369254 S\n0.288985 0.919731 0.879760 S\n0.211015 0.090775 0.630746 S\n0.039971 0.409225 0.120240 S\n0.460029 0.580269 0.369254 S\n",
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"formula_full": "Tl4 Fe6 S8",
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{
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"created_at": "2022-09-04T14:45:26.667877Z",
"structure_string": "Na8 Sn4 Ge10 H2 O32\n1.0\n5.450866 0.000000 0.000000\n0.000000 7.055315 0.000000\n0.000000 5.880102 20.429600\nNa Sn Ge H O\n8 4 10 2 32\ndirect\n0.255921 0.892090 0.971772 Na\n0.255921 0.107910 0.528228 Na\n0.489214 0.749906 0.291858 Na\n0.489214 0.250094 0.208142 Na\n0.510786 0.749906 0.791858 Na\n0.510786 0.250094 0.708142 Na\n0.744079 0.107910 0.028228 Na\n0.744079 0.892090 0.471772 Na\n0.259746 0.386159 0.910858 Sn\n0.259746 0.613841 0.589142 Sn\n0.740254 0.386159 0.410858 Sn\n0.740254 0.613841 0.089142 Sn\n0.002952 0.500000 0.250000 Ge\n0.254900 0.846812 0.134733 Ge\n0.254900 0.153188 0.365267 Ge\n0.783037 0.315147 0.575254 Ge\n0.783037 0.684853 0.924746 Ge\n0.745100 0.153188 0.865267 Ge\n0.745100 0.846812 0.634733 Ge\n0.216963 0.315147 0.075254 Ge\n0.216963 0.684853 0.424746 Ge\n0.997048 0.500000 0.750000 Ge\n0.165249 0.000000 0.750000 H\n0.834751 0.000000 0.250000 H\n0.207083 0.703565 0.218128 O\n0.207083 0.296435 0.281872 O\n0.180024 0.540381 0.813074 O\n0.180024 0.459619 0.686926 O\n0.439192 0.156200 0.887024 O\n0.439192 0.843800 0.612976 O\n0.341492 0.243207 0.009069 O\n0.341492 0.756793 0.490931 O\n0.221474 0.089587 0.145768 O\n0.221474 0.910413 0.354232 O\n0.095401 0.618002 0.936744 O\n0.095401 0.381998 0.563256 O\n0.044554 0.808597 0.076716 O\n0.044554 0.191403 0.423284 O\n0.658508 0.243207 0.509069 O\n0.658508 0.756793 0.990931 O\n0.819976 0.540381 0.313074 O\n0.819976 0.459619 0.186926 O\n0.792917 0.296435 0.781872 O\n0.792917 0.703565 0.718128 O\n0.955446 0.191403 0.923284 O\n0.955446 0.808597 0.576716 O\n0.403790 0.533225 0.391270 O\n0.403790 0.466775 0.108730 O\n0.904599 0.618002 0.436744 O\n0.904599 0.381998 0.063256 O\n0.596210 0.533225 0.891270 O\n0.596210 0.466775 0.608730 O\n0.778526 0.910413 0.854232 O\n0.778526 0.089587 0.645768 O\n0.560808 0.843800 0.112976 O\n0.560808 0.156200 0.387024 O\n",
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{
"id": "mp-1209138",
"created_at": "2022-09-04T14:45:24.544214Z",
"structure_string": "Rb2 Yb2 W4 O16\n1.0\n5.386891 5.504199 0.000000\n-5.386891 5.504199 0.000000\n0.000000 4.805394 5.749018\nRb Yb W O\n2 2 4 16\ndirect\n0.199193 0.800807 0.750000 Rb\n0.800807 0.199193 0.250000 Rb\n0.775431 0.224569 0.750000 Yb\n0.224569 0.775431 0.250000 Yb\n0.698856 0.686977 0.785648 W\n0.301144 0.313023 0.214352 W\n0.313023 0.301144 0.714352 W\n0.686977 0.698856 0.285648 W\n0.619437 0.750533 0.560879 O\n0.380563 0.249467 0.439121 O\n0.249467 0.380563 0.939121 O\n0.750533 0.619437 0.060879 O\n0.373762 0.065045 0.869294 O\n0.626238 0.934955 0.130706 O\n0.934955 0.626238 0.630706 O\n0.065045 0.373762 0.369294 O\n0.589559 0.371189 0.968684 O\n0.410441 0.628811 0.031316 O\n0.628811 0.410441 0.531316 O\n0.371189 0.589559 0.468684 O\n0.780670 0.949126 0.693917 O\n0.219330 0.050873 0.306083 O\n0.050874 0.219330 0.806083 O\n0.949126 0.780670 0.193917 O\n",
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{
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"structure_string": "Li20 Co21 O42\n1.0\n8.581430 0.000000 0.000000\n-3.853910 8.705456 0.000000\n-3.327569 -2.878340 9.311145\nLi Co O\n20 21 42\ndirect\n0.142893 0.571519 0.142879 Li\n0.368572 0.184271 0.046189 Li\n0.276429 0.138168 0.276322 Li\n0.524725 0.762759 0.190276 Li\n0.430013 0.715068 0.429798 Li\n0.760479 0.380310 0.094976 Li\n0.665109 0.332774 0.332797 Li\n0.569987 0.284932 0.570202 Li\n0.907923 0.953983 0.230478 Li\n0.809994 0.905220 0.476206 Li\n0.723571 0.861832 0.723678 Li\n0.047719 0.523769 0.380899 Li\n0.952281 0.476231 0.619101 Li\n0.857107 0.428481 0.857121 Li\n0.190006 0.094780 0.523794 Li\n0.092077 0.046017 0.769522 Li\n0.334891 0.667226 0.667203 Li\n0.239521 0.619690 0.905024 Li\n0.475275 0.237241 0.809724 Li\n0.631428 0.815729 0.953811 Li\n0.260821 0.881167 0.094882 Co\n0.404844 0.454086 0.238348 Co\n0.642196 0.072572 0.142850 Co\n0.547213 0.024121 0.380706 Co\n0.881344 0.691090 0.047398 Co\n0.785909 0.643343 0.285799 Co\n0.690674 0.595636 0.524021 Co\n0.023613 0.261384 0.189727 Co\n0.928286 0.214389 0.428224 Co\n0.833058 0.167957 0.666498 Co\n0.166942 0.832043 0.333502 Co\n0.071714 0.785611 0.571776 Co\n0.976387 0.738616 0.810273 Co\n0.309326 0.404364 0.475979 Co\n0.214091 0.356657 0.714201 Co\n0.118656 0.308910 0.952602 Co\n0.452787 0.975879 0.619294 Co\n0.357804 0.927428 0.857150 Co\n0.595156 0.545914 0.761652 Co\n0.500000 0.500000 0.000000 Co\n0.739179 0.118833 0.905118 Co\n0.202639 0.248425 0.122299 O\n0.438838 0.861272 0.025463 O\n0.343205 0.812849 0.263236 O\n0.324485 0.521295 0.070178 O\n0.580235 0.433080 0.168093 O\n0.485248 0.385497 0.405450 O\n0.464252 0.091537 0.213221 O\n0.815466 0.054646 0.073972 O\n0.723158 0.004550 0.310176 O\n0.628925 0.957184 0.548755 O\n0.705440 0.710872 0.117680 O\n0.611989 0.665603 0.357395 O\n0.961192 0.621751 0.215463 O\n0.866283 0.575416 0.453437 O\n0.771046 0.526548 0.691003 O\n0.943119 0.330028 0.022709 O\n0.847747 0.282901 0.260934 O\n0.751731 0.235334 0.497237 O\n0.103982 0.193892 0.357469 O\n0.008283 0.146665 0.596166 O\n0.912562 0.103204 0.831894 O\n0.087438 0.896796 0.168106 O\n0.991717 0.853335 0.403834 O\n0.896018 0.806108 0.642531 O\n0.248269 0.764666 0.502763 O\n0.152253 0.717099 0.739066 O\n0.056881 0.669972 0.977291 O\n0.228954 0.473452 0.308997 O\n0.133717 0.424584 0.546563 O\n0.038808 0.378249 0.784537 O\n0.388011 0.334397 0.642605 O\n0.294560 0.289128 0.882320 O\n0.371075 0.042816 0.451245 O\n0.276842 0.995450 0.689824 O\n0.184534 0.945354 0.926028 O\n0.535748 0.908463 0.786779 O\n0.514752 0.614503 0.594550 O\n0.419765 0.566920 0.831907 O\n0.675515 0.478705 0.929822 O\n0.656795 0.187151 0.736764 O\n0.561162 0.138728 0.974537 O\n0.797361 0.751575 0.877701 O\n",
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{
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"structure_string": "Th1 U1 O4\n1.0\n3.911961 0.000000 0.000000\n0.000000 3.911961 0.000000\n0.000000 0.000000 5.541797\nTh U O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.243695 O\n0.500000 0.000000 0.243695 O\n0.500000 0.000000 0.756305 O\n0.000000 0.500000 0.756305 O\n",
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{
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