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{
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{
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"structure_string": "Zn12 P8 H32 O48\n1.0\n5.093887 0.000000 0.000000\n0.000000 10.760037 0.000000\n0.000000 0.000000 19.056360\nZn P H O\n12 8 32 48\ndirect\n0.937867 0.738523 0.250000 Zn\n0.562133 0.238523 0.250000 Zn\n0.062133 0.261477 0.750000 Zn\n0.437867 0.761477 0.750000 Zn\n0.285012 0.642143 0.998522 Zn\n0.214988 0.142143 0.501478 Zn\n0.714988 0.357857 0.498522 Zn\n0.785012 0.857857 0.001478 Zn\n0.714988 0.357857 0.001478 Zn\n0.785012 0.857857 0.498522 Zn\n0.285012 0.642143 0.501478 Zn\n0.214988 0.142143 0.998522 Zn\n0.773450 0.602905 0.093439 P\n0.726550 0.102905 0.406561 P\n0.226550 0.397095 0.593439 P\n0.273450 0.897095 0.906561 P\n0.226550 0.397095 0.906561 P\n0.273450 0.897095 0.593439 P\n0.773450 0.602905 0.406561 P\n0.726550 0.102905 0.093439 P\n0.376289 0.616304 0.209978 H\n0.123711 0.116304 0.290022 H\n0.623711 0.383696 0.709978 H\n0.876289 0.883696 0.790022 H\n0.623711 0.383696 0.790022 H\n0.876289 0.883696 0.709978 H\n0.376289 0.616304 0.290022 H\n0.123711 0.116304 0.209978 H\n0.689440 0.949606 0.209881 H\n0.810560 0.449606 0.290119 H\n0.310560 0.050394 0.709881 H\n0.189440 0.550394 0.790119 H\n0.310560 0.050394 0.790119 H\n0.189440 0.550394 0.709881 H\n0.689440 0.949606 0.290119 H\n0.810560 0.449606 0.209881 H\n0.211745 0.760915 0.134894 H\n0.288255 0.260915 0.365106 H\n0.788255 0.239085 0.634894 H\n0.711745 0.739085 0.865106 H\n0.788255 0.239085 0.865106 H\n0.711745 0.739085 0.634894 H\n0.211745 0.760915 0.365106 H\n0.288255 0.260915 0.134894 H\n0.054949 0.885973 0.135287 H\n0.445051 0.385973 0.364713 H\n0.945051 0.114027 0.635287 H\n0.554949 0.614027 0.864713 H\n0.945051 0.114027 0.864713 H\n0.554949 0.614027 0.635287 H\n0.054949 0.885973 0.364713 H\n0.445051 0.385973 0.135287 H\n0.253506 0.609945 0.250000 O\n0.246494 0.109945 0.250000 O\n0.746494 0.390055 0.750000 O\n0.753506 0.890055 0.750000 O\n0.693132 0.893462 0.250000 O\n0.806868 0.393462 0.250000 O\n0.306868 0.106538 0.750000 O\n0.193132 0.606538 0.750000 O\n0.154496 0.828078 0.165809 O\n0.345504 0.328078 0.334191 O\n0.845504 0.171922 0.665809 O\n0.654496 0.671922 0.834191 O\n0.845504 0.171922 0.834191 O\n0.654496 0.671922 0.665809 O\n0.154496 0.828078 0.334191 O\n0.345504 0.328078 0.165809 O\n0.715062 0.636819 0.169903 O\n0.784938 0.136819 0.330097 O\n0.284938 0.363181 0.669903 O\n0.215062 0.863181 0.830097 O\n0.284938 0.363181 0.830097 O\n0.215062 0.863181 0.669903 O\n0.715062 0.636819 0.330097 O\n0.784938 0.136819 0.169903 O\n0.071771 0.605966 0.079297 O\n0.428229 0.105966 0.420703 O\n0.928229 0.394034 0.579297 O\n0.571771 0.894034 0.920703 O\n0.928229 0.394034 0.920703 O\n0.571771 0.894034 0.579297 O\n0.071771 0.605966 0.420703 O\n0.428229 0.105966 0.079297 O\n0.846714 0.972032 0.078321 O\n0.653286 0.472032 0.421679 O\n0.153286 0.027968 0.578321 O\n0.346714 0.527968 0.921679 O\n0.153286 0.027968 0.921679 O\n0.346714 0.527968 0.578321 O\n0.846714 0.972032 0.421679 O\n0.653286 0.472032 0.078321 O\n0.635351 0.695682 0.039523 O\n0.864649 0.195682 0.460477 O\n0.364649 0.304318 0.539523 O\n0.135351 0.804318 0.960477 O\n0.364649 0.304318 0.960477 O\n0.135351 0.804318 0.539523 O\n0.635351 0.695682 0.460477 O\n0.864649 0.195682 0.039523 O\n",
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"formula_full": "Zn12 P8 H32 O48",
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{
"id": "mp-561457",
"created_at": "2022-09-04T14:43:44.851134Z",
"structure_string": "Cs4 Al4 Si4 O16\n1.0\n5.502470 0.000000 0.000000\n0.000000 9.011743 0.000000\n0.000000 0.000000 9.594514\nCs Al Si O\n4 4 4 16\ndirect\n0.750000 0.499538 0.198836 Cs\n0.250000 0.500462 0.801164 Cs\n0.250000 0.000462 0.698836 Cs\n0.750000 0.999538 0.301164 Cs\n0.750000 0.316928 0.584247 Al\n0.750000 0.816928 0.915753 Al\n0.250000 0.683072 0.415753 Al\n0.250000 0.183072 0.084247 Al\n0.250000 0.809642 0.084469 Si\n0.250000 0.309642 0.415531 Si\n0.750000 0.690358 0.584469 Si\n0.750000 0.190358 0.915531 Si\n0.750000 0.253362 0.756328 O\n0.507895 0.753445 0.503050 O\n0.992105 0.753445 0.503050 O\n0.992105 0.253445 0.996950 O\n0.750000 0.753362 0.743672 O\n0.250000 0.746638 0.243672 O\n0.492105 0.246555 0.496950 O\n0.250000 0.246638 0.256328 O\n0.007895 0.246555 0.496950 O\n0.007895 0.746555 0.003050 O\n0.250000 0.489801 0.411875 O\n0.507895 0.253445 0.996950 O\n0.492105 0.746555 0.003050 O\n0.750000 0.510199 0.588125 O\n0.250000 0.989801 0.088125 O\n0.750000 0.010199 0.911875 O\n",
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{
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"structure_string": "Tb2 S1 O2\n1.0\n1.916315 -3.319155 0.000000\n1.916315 3.319155 0.000000\n0.000000 0.000000 6.645905\nTb S O\n2 1 2\ndirect\n0.666667 0.333333 0.717852 Tb\n0.333333 0.666667 0.282148 Tb\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.370582 O\n0.333333 0.666667 0.629418 O\n",
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{
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"structure_string": "Na4 In4 P8 H12 O34\n1.0\n-9.418581 0.014859 0.020562\n-4.656170 8.399557 -0.001220\n1.479011 0.817429 -9.215348\nNa In P H O\n4 4 8 12 34\ndirect\n0.889691 0.198976 0.250980 Na\n0.520248 0.702051 0.693750 Na\n0.479752 0.297949 0.306250 Na\n0.110309 0.801024 0.749020 Na\n0.752417 0.709912 0.132936 In\n0.739387 0.218553 0.631610 In\n0.260613 0.781447 0.368390 In\n0.247583 0.290088 0.867064 In\n0.848202 0.915575 0.404823 P\n0.837355 0.418162 0.889145 P\n0.693630 0.548024 0.420766 P\n0.338917 0.994393 0.138585 P\n0.661083 0.005607 0.861415 P\n0.306370 0.451976 0.579234 P\n0.162645 0.581838 0.110855 P\n0.151798 0.084425 0.595177 P\n0.959908 0.799250 0.990024 H\n0.876354 0.730077 0.558434 H\n0.879053 0.495138 0.631343 H\n0.458953 0.010583 0.707623 H\n0.600479 0.396907 0.090413 H\n0.591076 0.243902 0.042498 H\n0.408924 0.756098 0.957502 H\n0.399521 0.603093 0.909587 H\n0.541047 0.989417 0.292377 H\n0.120947 0.504862 0.368657 H\n0.123646 0.269923 0.441566 H\n0.040092 0.200750 0.009976 H\n0.987044 0.912717 0.336567 O\n0.932350 0.793800 0.549444 O\n0.738663 0.860240 0.309826 O\n0.976566 0.411205 0.815793 O\n0.918393 0.275274 0.014470 O\n0.770321 0.877847 0.990326 O\n0.811755 0.578994 0.548765 O\n0.760395 0.534082 0.279059 O\n0.577495 0.928542 0.749598 O\n0.478199 0.843184 0.089485 O\n0.738960 0.576838 0.952982 O\n0.700641 0.389145 0.457442 O\n0.524777 0.696586 0.419353 O\n0.709450 0.401486 0.775129 O\n0.626502 0.291275 0.126802 O\n0.733604 0.084677 0.443956 O\n0.780382 0.037635 0.791403 O\n0.219618 0.962365 0.208597 O\n0.266396 0.915323 0.556044 O\n0.373498 0.708725 0.873198 O\n0.290550 0.598514 0.224871 O\n0.475223 0.303414 0.580647 O\n0.299359 0.610855 0.542559 O\n0.261040 0.423162 0.047018 O\n0.521801 0.156816 0.910515 O\n0.422505 0.071458 0.250402 O\n0.239605 0.465918 0.720941 O\n0.188245 0.421006 0.451235 O\n0.229679 0.122153 0.009674 O\n0.081607 0.724726 0.985530 O\n0.023434 0.588795 0.184207 O\n0.261337 0.139760 0.690174 O\n0.067650 0.206200 0.450556 O\n0.012956 0.087283 0.663433 O\n",
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{
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"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.831073 0.000000 0.000000\n0.000000 8.711401 0.000000\n0.000000 6.160994 11.834450\nK Ni H C O\n4 2 24 8 28\ndirect\n0.345004 0.320108 0.120812 K\n0.845004 0.679892 0.379188 K\n0.154996 0.320108 0.620812 K\n0.654996 0.679892 0.879188 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.085511 0.944684 0.656817 H\n0.715453 0.789400 0.117782 H\n0.911518 0.429412 0.148033 H\n0.414489 0.944684 0.156817 H\n0.284547 0.210600 0.882218 H\n0.784547 0.789400 0.617782 H\n0.411518 0.570588 0.351967 H\n0.588482 0.429412 0.648033 H\n0.585511 0.055316 0.843183 H\n0.409796 0.322165 0.351460 H\n0.508869 0.414704 0.764891 H\n0.986575 0.060524 0.229054 H\n0.909796 0.677835 0.148540 H\n0.486575 0.939476 0.270946 H\n0.013425 0.939476 0.770946 H\n0.090204 0.322165 0.851460 H\n0.008869 0.585296 0.735109 H\n0.914489 0.055316 0.343183 H\n0.991131 0.414704 0.264891 H\n0.491131 0.585296 0.235109 H\n0.088482 0.570588 0.851967 H\n0.215453 0.210600 0.382218 H\n0.513425 0.060524 0.729054 H\n0.590204 0.677835 0.648540 H\n0.679996 0.227961 0.955606 C\n0.688425 0.255951 0.541651 C\n0.820004 0.227961 0.455606 C\n0.188425 0.744049 0.958349 C\n0.179996 0.772039 0.544394 C\n0.311575 0.744049 0.458349 C\n0.811575 0.255951 0.041651 C\n0.320004 0.772039 0.044394 C\n0.533624 0.162638 0.574693 O\n0.466376 0.837362 0.425307 O\n0.005174 0.000374 0.311550 O\n0.502961 0.516988 0.318236 O\n0.472042 0.681034 0.082276 O\n0.259969 0.632312 0.428834 O\n0.354472 0.206913 0.364347 O\n0.740031 0.367688 0.571166 O\n0.645528 0.793087 0.635653 O\n0.240031 0.632312 0.928834 O\n0.997039 0.516988 0.818236 O\n0.027958 0.681034 0.582276 O\n0.033624 0.837362 0.925307 O\n0.002961 0.483012 0.181764 O\n0.966376 0.162638 0.074693 O\n0.145528 0.206913 0.864347 O\n0.854472 0.793087 0.135653 O\n0.260669 0.886573 0.071856 O\n0.527958 0.318966 0.917724 O\n0.759969 0.367688 0.071166 O\n0.739331 0.113427 0.928144 O\n0.239331 0.886573 0.571856 O\n0.494826 0.000374 0.811550 O\n0.972042 0.318966 0.417724 O\n0.497039 0.483012 0.681764 O\n0.760669 0.113427 0.428144 O\n0.505174 0.999626 0.188450 O\n0.994826 0.999626 0.688450 O\n",
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{
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