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{
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{
"id": "mp-1078358",
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{
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"structure_string": "Sr8 V8 Zn8 P16 O72\n1.0\n9.146868 0.000000 0.000000\n0.000000 9.261475 0.000000\n0.000000 0.000000 17.725251\nSr V Zn P O\n8 8 8 16 72\ndirect\n0.067752 0.361989 0.100166 Sr\n0.567752 0.638011 0.399834 Sr\n0.432248 0.861989 0.899834 Sr\n0.932248 0.138011 0.600166 Sr\n0.932248 0.638011 0.899834 Sr\n0.432248 0.361989 0.600166 Sr\n0.567752 0.138011 0.100166 Sr\n0.067752 0.861989 0.399834 Sr\n0.754811 0.494383 0.211065 V\n0.254811 0.505617 0.288935 V\n0.745189 0.994383 0.788935 V\n0.245189 0.005617 0.711065 V\n0.245189 0.505617 0.788935 V\n0.745189 0.494383 0.711065 V\n0.254811 0.005617 0.211065 V\n0.754811 0.994383 0.288935 V\n0.071915 0.305502 0.436238 Zn\n0.571915 0.694498 0.063762 Zn\n0.428085 0.805502 0.563762 Zn\n0.928085 0.194498 0.936238 Zn\n0.928085 0.694498 0.563762 Zn\n0.428085 0.305502 0.936238 Zn\n0.571915 0.194498 0.436238 Zn\n0.071915 0.805502 0.063762 Zn\n0.234057 0.070211 0.011918 P\n0.734057 0.929789 0.488082 P\n0.265943 0.570211 0.988082 P\n0.765943 0.429789 0.511918 P\n0.765943 0.929789 0.988082 P\n0.265943 0.070211 0.511918 P\n0.734057 0.429789 0.011918 P\n0.234057 0.570211 0.488082 P\n0.504346 0.255759 0.271938 P\n0.004346 0.744241 0.228062 P\n0.995654 0.755759 0.728062 P\n0.495654 0.244241 0.771938 P\n0.495654 0.744241 0.728062 P\n0.995654 0.255759 0.771938 P\n0.004346 0.244241 0.271938 P\n0.504346 0.755759 0.228062 P\n0.415588 0.360139 0.321724 O\n0.915588 0.639861 0.178276 O\n0.084412 0.860139 0.678276 O\n0.584412 0.139861 0.821724 O\n0.584412 0.639861 0.678276 O\n0.084412 0.360139 0.821724 O\n0.915588 0.139861 0.321724 O\n0.415588 0.860139 0.178276 O\n0.601951 0.334154 0.213636 O\n0.101951 0.665846 0.286364 O\n0.898049 0.834154 0.786364 O\n0.398049 0.165846 0.713636 O\n0.398049 0.665846 0.786364 O\n0.898049 0.334154 0.713636 O\n0.101951 0.165846 0.213636 O\n0.601951 0.834154 0.286364 O\n0.190277 0.915423 0.989127 O\n0.690277 0.084577 0.510873 O\n0.309723 0.415423 0.010873 O\n0.809723 0.584577 0.489127 O\n0.809723 0.084577 0.010873 O\n0.309723 0.915423 0.489127 O\n0.690277 0.584577 0.989127 O\n0.190277 0.415423 0.510873 O\n0.598647 0.158204 0.327958 O\n0.098647 0.841796 0.172042 O\n0.901353 0.658204 0.672042 O\n0.736492 0.543835 0.300134 O\n0.401353 0.341796 0.827958 O\n0.901353 0.158204 0.827958 O\n0.098647 0.341796 0.327958 O\n0.598647 0.658204 0.172042 O\n0.377405 0.104943 0.966898 O\n0.877405 0.895057 0.533102 O\n0.122595 0.604943 0.033102 O\n0.622595 0.395057 0.466898 O\n0.622595 0.895057 0.033102 O\n0.122595 0.104943 0.466898 O\n0.877405 0.395057 0.966898 O\n0.377405 0.604943 0.533102 O\n0.227621 0.080801 0.596897 O\n0.727621 0.919199 0.903103 O\n0.272379 0.580801 0.403103 O\n0.772379 0.419199 0.096897 O\n0.772379 0.919199 0.403103 O\n0.272379 0.080801 0.096897 O\n0.727621 0.419199 0.596897 O\n0.227621 0.580801 0.903103 O\n0.912279 0.846562 0.277714 O\n0.412279 0.153438 0.222286 O\n0.587721 0.346562 0.722286 O\n0.087721 0.653438 0.777714 O\n0.087721 0.153438 0.722286 O\n0.587721 0.846562 0.777714 O\n0.412279 0.653438 0.277714 O\n0.912279 0.346562 0.222286 O\n0.111999 0.680421 0.505712 O\n0.611999 0.319579 0.994288 O\n0.388001 0.180421 0.494288 O\n0.888001 0.819579 0.005712 O\n0.888001 0.319579 0.494288 O\n0.388001 0.680421 0.005712 O\n0.611999 0.819579 0.505712 O\n0.111999 0.180421 0.994288 O\n0.736492 0.043835 0.199866 O\n0.236492 0.956165 0.300134 O\n0.763508 0.543835 0.800134 O\n0.263508 0.456165 0.699866 O\n0.263508 0.956165 0.800134 O\n0.763508 0.043835 0.699866 O\n0.236492 0.456165 0.199866 O\n0.401353 0.841796 0.672042 O\n",
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"formula_full": "Sr8 V8 Zn8 P16 O72",
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"spacegroup": 61
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{
"id": "mp-2812",
"created_at": "2022-09-04T14:44:53.680009Z",
"structure_string": "Ho1 Fe5\n1.0\n4.985817 0.000000 0.000000\n-2.492908 4.317844 0.000000\n0.000000 0.000000 3.947159\nHo Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n",
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{
"id": "mp-1197776",
"created_at": "2022-09-04T14:44:41.361487Z",
"structure_string": "Fe4 Te12 S12 Cl12 O36 F72\n1.0\n16.058292 0.000000 0.000000\n0.000000 9.790239 0.000000\n0.000000 7.107342 17.349139\nFe Te S Cl O F\n4 12 12 12 36 72\ndirect\n0.848644 0.244473 0.258196 Fe\n0.651356 0.244473 0.758196 Fe\n0.151356 0.755527 0.741804 Fe\n0.348644 0.755527 0.241804 Fe\n0.978686 0.296897 0.396021 Te\n0.521314 0.296897 0.896021 Te\n0.021314 0.703103 0.603979 Te\n0.478686 0.703103 0.103979 Te\n0.015374 0.148496 0.164016 Te\n0.484626 0.148496 0.664016 Te\n0.984626 0.851504 0.835984 Te\n0.515375 0.851504 0.335984 Te\n0.858278 0.628617 0.144973 Te\n0.641722 0.628617 0.644973 Te\n0.141722 0.371383 0.855027 Te\n0.358278 0.371383 0.355027 Te\n0.824273 0.882595 0.381816 S\n0.675727 0.882595 0.881816 S\n0.175727 0.117405 0.618184 S\n0.324273 0.117405 0.118184 S\n0.704958 0.228120 0.118228 S\n0.795042 0.228120 0.618228 S\n0.295042 0.771880 0.881772 S\n0.204958 0.771880 0.381772 S\n0.671261 0.300301 0.357484 S\n0.828739 0.300301 0.857484 S\n0.328739 0.699699 0.642516 S\n0.171261 0.699699 0.142516 S\n0.777684 0.701121 0.375339 Cl\n0.722316 0.701121 0.875339 Cl\n0.222316 0.298879 0.624661 Cl\n0.277684 0.298879 0.124661 Cl\n0.700846 0.016381 0.134908 Cl\n0.799154 0.016381 0.634908 Cl\n0.299154 0.983619 0.865092 Cl\n0.200846 0.983619 0.365092 Cl\n0.619007 0.166148 0.453943 Cl\n0.880993 0.166148 0.953943 Cl\n0.380993 0.833852 0.546057 Cl\n0.119007 0.833852 0.046057 Cl\n0.925915 0.199107 0.340400 O\n0.574085 0.199107 0.840400 O\n0.074085 0.800893 0.659600 O\n0.425915 0.800893 0.159600 O\n0.911799 0.219724 0.178150 O\n0.588201 0.219724 0.678150 O\n0.088201 0.780276 0.821850 O\n0.411799 0.780276 0.321850 O\n0.836913 0.451085 0.226509 O\n0.663087 0.451085 0.726509 O\n0.163087 0.548915 0.773491 O\n0.336913 0.548915 0.273491 O\n0.819538 0.999389 0.306088 O\n0.680462 0.999389 0.806088 O\n0.180462 0.000611 0.693912 O\n0.319538 0.000611 0.193912 O\n0.795917 0.903134 0.448739 O\n0.704083 0.903134 0.948739 O\n0.204083 0.096866 0.551261 O\n0.295917 0.096866 0.051261 O\n0.734162 0.243232 0.187800 O\n0.765838 0.243232 0.687800 O\n0.265838 0.756768 0.812200 O\n0.234162 0.756768 0.312200 O\n0.738598 0.312747 0.044875 O\n0.761402 0.312747 0.544875 O\n0.261402 0.687253 0.955125 O\n0.238598 0.687253 0.455125 O\n0.743699 0.227500 0.342880 O\n0.756301 0.227500 0.842880 O\n0.256301 0.772500 0.657120 O\n0.243699 0.772500 0.157120 O\n0.674655 0.446930 0.354589 O\n0.825345 0.446930 0.854589 O\n0.325345 0.553070 0.645411 O\n0.174655 0.553070 0.145411 O\n0.918537 0.835841 0.393687 F\n0.581463 0.835841 0.893687 F\n0.081463 0.164159 0.606313 F\n0.418537 0.164159 0.106313 F\n0.609059 0.261388 0.116628 F\n0.890941 0.261388 0.616628 F\n0.390941 0.738612 0.883372 F\n0.109059 0.738612 0.383372 F\n0.603271 0.293017 0.298476 F\n0.896729 0.293017 0.798476 F\n0.396729 0.706983 0.701524 F\n0.103271 0.706983 0.201524 F\n0.077623 0.190577 0.402880 F\n0.422377 0.190577 0.902880 F\n0.922377 0.809423 0.597120 F\n0.577623 0.809423 0.097120 F\n0.019156 0.450666 0.307628 F\n0.480844 0.450666 0.807628 F\n0.980844 0.549334 0.692372 F\n0.519156 0.549334 0.192372 F\n0.884032 0.409870 0.397935 F\n0.615968 0.409870 0.897935 F\n0.115968 0.590130 0.602065 F\n0.384032 0.590130 0.102065 F\n0.944828 0.151674 0.490496 F\n0.555172 0.151674 0.990496 F\n0.055172 0.848326 0.509504 F\n0.444828 0.848326 0.009504 F\n0.032753 0.391562 0.453692 F\n0.467247 0.391562 0.953692 F\n0.967247 0.608438 0.546308 F\n0.532753 0.608438 0.046308 F\n0.009131 0.977909 0.255334 F\n0.490869 0.977909 0.755334 F\n0.990869 0.022091 0.744666 F\n0.509131 0.022091 0.244666 F\n0.967871 0.042068 0.108777 F\n0.532129 0.042068 0.608777 F\n0.032129 0.957932 0.891223 F\n0.467871 0.957932 0.391223 F\n0.033182 0.306614 0.070070 F\n0.466818 0.306614 0.570070 F\n0.966818 0.693386 0.929930 F\n0.533182 0.693386 0.429930 F\n0.075471 0.247042 0.216422 F\n0.424529 0.247042 0.716422 F\n0.924529 0.752958 0.783578 F\n0.575471 0.752958 0.283578 F\n0.118847 0.072694 0.148027 F\n0.381153 0.072694 0.648027 F\n0.881153 0.927306 0.851973 F\n0.618847 0.927306 0.351973 F\n0.815199 0.563743 0.069783 F\n0.684801 0.563743 0.569783 F\n0.184801 0.436257 0.930217 F\n0.315199 0.436257 0.430217 F\n0.752347 0.701701 0.155665 F\n0.747653 0.701701 0.655665 F\n0.247653 0.298299 0.844335 F\n0.252347 0.298299 0.344335 F\n0.900707 0.714583 0.211727 F\n0.599293 0.714583 0.711727 F\n0.099293 0.285417 0.788273 F\n0.400707 0.285417 0.288273 F\n0.966762 0.574914 0.127416 F\n0.533238 0.574914 0.627416 F\n0.033238 0.425086 0.872584 F\n0.466762 0.425086 0.372584 F\n0.877449 0.811543 0.064186 F\n0.622551 0.811543 0.564186 F\n0.122551 0.188457 0.935814 F\n0.377449 0.188457 0.435814 F\n",
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"formula_full": "Fe4 Te12 S12 Cl12 O36 F72",
"formula_reduced": "FeTe3S3Cl3(OF2)9",
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{
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{
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{
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{
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}