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{
"id": "mp-3094",
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"structure_string": "Sr4 Al8 O16\n1.0\n8.917606 0.000000 0.000000\n0.000000 5.213886 0.000000\n0.000000 0.524083 8.531299\nSr Al O\n4 8 16\ndirect\n0.490579 0.201467 0.972778 Sr\n0.990579 0.798533 0.027222 Sr\n0.497280 0.253801 0.514383 Sr\n0.997280 0.746199 0.485617 Sr\n0.668320 0.795717 0.318779 Al\n0.168320 0.204283 0.681221 Al\n0.168259 0.220226 0.292669 Al\n0.668259 0.779774 0.707331 Al\n0.337574 0.725762 0.200450 Al\n0.837574 0.274238 0.799550 Al\n0.330705 0.715203 0.810876 Al\n0.830705 0.284797 0.189124 Al\n0.384109 0.643657 0.008625 O\n0.884109 0.356343 0.991375 O\n0.714354 0.881386 0.511211 O\n0.214354 0.118614 0.488789 O\n0.167245 0.909885 0.798288 O\n0.667245 0.090115 0.201712 O\n0.797076 0.939384 0.824245 O\n0.297076 0.060616 0.175755 O\n0.484662 0.900615 0.735586 O\n0.984662 0.099385 0.264414 O\n0.990121 0.351604 0.673815 O\n0.490121 0.648396 0.326185 O\n0.170823 0.560937 0.264252 O\n0.670823 0.439063 0.735748 O\n0.314694 0.414184 0.729600 O\n0.814694 0.585816 0.270400 O\n",
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{
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"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n-0.001069 -0.000180 6.345187\n8.554449 0.005325 -0.001448\n0.797421 9.739230 -0.000409\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.262140 0.109485 0.387364 Li\n0.261880 0.109410 0.887261 Li\n0.761873 0.890578 0.112740 Li\n0.762072 0.890444 0.612624 Li\n0.484818 0.281060 0.122279 Li\n0.484637 0.281134 0.622462 Li\n0.985082 0.719033 0.377585 Li\n0.985163 0.719026 0.877686 Li\n0.743189 0.358666 0.389538 Li\n0.743291 0.358293 0.889589 Li\n0.243381 0.641760 0.110382 Li\n0.243307 0.641373 0.610450 Li\n0.998276 0.264420 0.627718 Ni\n0.498742 0.735271 0.372228 Ni\n0.998820 0.265115 0.128085 Ni\n0.499016 0.734807 0.871860 Ni\n0.248026 0.409346 0.362078 P\n0.247764 0.409191 0.862116 P\n0.747899 0.590813 0.137834 P\n0.748091 0.590596 0.637942 P\n0.760771 0.042722 0.354422 C\n0.760523 0.042589 0.854441 C\n0.260533 0.957408 0.145645 C\n0.260737 0.957248 0.645566 C\n0.765817 0.066340 0.481732 O\n0.764953 0.066217 0.981751 O\n0.265121 0.933846 0.018361 O\n0.265806 0.933651 0.518280 O\n0.237636 0.101574 0.184522 O\n0.237210 0.101426 0.684283 O\n0.737776 0.898528 0.315643 O\n0.737827 0.898435 0.815547 O\n0.774508 0.157347 0.259354 O\n0.774472 0.157325 0.759370 O\n0.274564 0.842702 0.240696 O\n0.274764 0.842678 0.740649 O\n0.055668 0.316976 0.425863 O\n0.055655 0.316818 0.926232 O\n0.555864 0.683388 0.073824 O\n0.555824 0.683080 0.574158 O\n0.441391 0.310992 0.411224 O\n0.441401 0.310887 0.910942 O\n0.941497 0.689103 0.088875 O\n0.941525 0.689029 0.588755 O\n0.751186 0.419475 0.097102 O\n0.751073 0.419363 0.596965 O\n0.251353 0.580569 0.403062 O\n0.251325 0.580512 0.902912 O\n0.226730 0.414063 0.201721 O\n0.225992 0.413635 0.701864 O\n0.726161 0.586302 0.298119 O\n0.726871 0.585951 0.798294 O\n",
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"formula_full": "Li12 Ni4 P4 C4 O28",
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{
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"structure_string": "As4 S4 Cl4 O4 F32\n1.0\n9.343048 0.000000 0.000000\n0.000000 8.624698 0.000000\n0.000000 0.940676 10.003530\nAs S Cl O F\n4 4 4 4 32\ndirect\n0.313928 0.996412 0.808028 As\n0.187929 0.496205 0.308425 As\n0.687929 0.503795 0.691575 As\n0.813928 0.003588 0.191972 As\n0.822905 0.003914 0.630048 S\n0.652331 0.493949 0.137075 S\n0.152331 0.506051 0.862925 S\n0.322905 0.996086 0.369952 S\n0.801788 0.033303 0.815455 Cl\n0.705195 0.536657 0.314078 Cl\n0.205195 0.463343 0.685922 Cl\n0.301788 0.966697 0.184545 Cl\n0.699448 0.974145 0.557758 O\n0.199448 0.025855 0.442242 O\n0.557666 0.371614 0.120086 O\n0.057666 0.628386 0.879914 O\n0.351491 0.164598 0.890606 F\n0.151277 0.665224 0.390260 F\n0.651277 0.334776 0.609740 F\n0.851491 0.835402 0.109394 F\n0.221386 0.914791 0.955442 F\n0.281909 0.414890 0.455281 F\n0.781909 0.585110 0.544719 F\n0.721386 0.085209 0.044558 F\n0.150481 0.083954 0.748087 F\n0.350960 0.584623 0.246986 F\n0.850960 0.415377 0.753014 F\n0.650481 0.916046 0.251913 F\n0.472864 0.906677 0.871351 F\n0.028901 0.407707 0.372264 F\n0.528901 0.592293 0.627736 F\n0.972864 0.093323 0.128649 F\n0.269320 0.827562 0.727842 F\n0.232974 0.327317 0.228791 F\n0.732974 0.672683 0.771209 F\n0.769320 0.172438 0.272158 F\n0.404038 0.076086 0.662855 F\n0.097598 0.574391 0.162903 F\n0.597598 0.425609 0.837097 F\n0.904038 0.923914 0.337145 F\n0.795725 0.480898 0.063987 F\n0.295725 0.519102 0.936013 F\n0.908344 0.144852 0.568531 F\n0.601679 0.649971 0.066308 F\n0.101679 0.350029 0.933692 F\n0.408344 0.855148 0.431469 F\n0.939862 0.879886 0.623553 F\n0.439862 0.120114 0.376447 F\n",
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"formula_full": "As4 S4 Cl4 O4 F32",
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{
"id": "mp-1225529",
"created_at": "2022-09-04T14:44:01.233287Z",
"structure_string": "Fe8 Si2 O18\n1.0\n15.651276 0.000000 0.000000\n0.000000 5.296713 0.000000\n0.000000 2.534968 4.691744\nFe Si O\n8 2 18\ndirect\n0.256220 0.674589 0.996606 Fe\n0.256147 0.333127 0.668914 Fe\n0.254006 0.013390 0.316709 Fe\n0.756220 0.325411 0.003394 Fe\n0.756147 0.666873 0.331086 Fe\n0.754006 0.986610 0.683291 Fe\n0.452578 0.319702 0.333634 Fe\n0.952578 0.680298 0.666366 Fe\n0.445310 0.656400 0.676618 Si\n0.945310 0.343600 0.323382 Si\n0.483174 0.402630 0.971223 O\n0.475729 0.617552 0.406719 O\n0.475574 0.966419 0.635955 O\n0.983174 0.597370 0.028777 O\n0.975729 0.382448 0.593281 O\n0.975574 0.033581 0.364045 O\n0.325803 0.321408 0.331883 O\n0.336374 0.647851 0.686216 O\n0.825803 0.678592 0.668117 O\n0.836374 0.352149 0.313784 O\n0.198103 0.358530 0.989438 O\n0.202488 0.674499 0.340244 O\n0.201910 0.997536 0.645456 O\n0.698103 0.641470 0.010562 O\n0.702488 0.325501 0.659756 O\n0.701910 0.002464 0.354544 O\n0.315585 0.997118 0.011299 O\n0.815585 0.002882 0.988701 O\n",
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"formula_full": "Fe8 Si2 O18",
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{
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"structure_string": "Re4 Te12 Br20\n1.0\n8.893907 0.000000 0.000000\n0.000000 11.633709 0.000000\n0.000000 3.515482 12.250615\nRe Te Br\n4 12 20\ndirect\n0.860995 0.222707 0.212481 Re\n0.079740 0.365041 0.281596 Re\n0.579740 0.634959 0.718404 Re\n0.360995 0.777293 0.787519 Re\n0.815776 0.071297 0.081634 Te\n0.283511 0.638446 0.654450 Te\n0.455397 0.566798 0.914841 Te\n0.260320 0.387583 0.450063 Te\n0.965686 0.166799 0.421417 Te\n0.783511 0.361554 0.345550 Te\n0.151164 0.191670 0.190490 Te\n0.465686 0.833201 0.578583 Te\n0.651164 0.808330 0.809510 Te\n0.315776 0.928703 0.918366 Te\n0.760320 0.612417 0.549937 Te\n0.955397 0.433202 0.085159 Te\n0.988403 0.887401 0.143068 Br\n0.569571 0.420072 0.681367 Br\n0.622492 0.275587 0.083279 Br\n0.938029 0.794778 0.492872 Br\n0.593859 0.666577 0.373980 Br\n0.093859 0.333423 0.626020 Br\n0.438029 0.205222 0.507128 Br\n0.682574 0.037337 0.298430 Br\n0.955108 0.163224 0.898172 Br\n0.234143 0.994578 0.351167 Br\n0.455108 0.836776 0.101828 Br\n0.122492 0.724413 0.916721 Br\n0.488403 0.112599 0.856932 Br\n0.354978 0.446236 0.221738 Br\n0.182574 0.962663 0.701570 Br\n0.748443 0.593407 0.105026 Br\n0.734143 0.005422 0.648833 Br\n0.248443 0.406593 0.894974 Br\n0.854978 0.553764 0.778262 Br\n0.069571 0.579928 0.318633 Br\n",
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{
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"structure_string": "Cu4 N2 O12\n1.0\n5.252289 0.000000 -0.506940\n0.000000 5.793107 0.000000\n-0.033217 0.000000 7.306577\nCu N O\n4 2 12\ndirect\n0.499875 0.298844 0.002052 Cu\n0.500125 0.798844 0.997948 Cu\n0.999731 0.048930 0.002007 Cu\n0.000269 0.548930 0.997993 Cu\n0.748375 0.835120 0.448854 N\n0.251625 0.335120 0.551146 N\n0.837638 0.297307 0.869037 O\n0.162362 0.797307 0.130963 O\n0.321810 0.546556 0.867872 O\n0.678190 0.046556 0.132128 O\n0.676027 0.550753 0.123335 O\n0.323973 0.050753 0.876665 O\n0.825094 0.802161 0.861500 O\n0.174906 0.302161 0.138500 O\n0.932177 0.932776 0.518097 O\n0.067823 0.432776 0.481903 O\n0.592059 0.704955 0.495756 O\n0.407941 0.204955 0.504244 O\n",
"nsites": 18,
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"formula_full": "Cu4 N2 O12",
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{
"id": "mp-540059",
"created_at": "2022-09-04T14:44:03.799252Z",
"structure_string": "Li8 Ni4 P8 O32\n1.0\n4.901211 0.000000 -0.278837\n0.000000 17.602557 0.000000\n-0.037327 0.000000 6.588655\nLi Ni P O\n8 4 8 32\ndirect\n0.232021 0.556617 0.220145 Li\n0.775281 0.115237 0.522027 Li\n0.724719 0.615237 0.977973 Li\n0.212014 0.884051 0.521831 Li\n0.812560 0.302813 0.196164 Li\n0.267979 0.056617 0.279855 Li\n0.287986 0.384051 0.978169 Li\n0.687440 0.802813 0.303836 Li\n0.301711 0.372293 0.490490 Ni\n0.703944 0.629776 0.516323 Ni\n0.198289 0.872293 0.009510 Ni\n0.796056 0.129776 0.983677 Ni\n0.179315 0.715318 0.281709 P\n0.778854 0.465016 0.277213 P\n0.822614 0.284539 0.715895 P\n0.721146 0.965016 0.222787 P\n0.320685 0.215318 0.218291 P\n0.282471 0.034405 0.777837 P\n0.217529 0.534405 0.722163 P\n0.677386 0.784539 0.784105 P\n0.361857 0.555999 0.930087 O\n0.491411 0.701796 0.312133 O\n0.641880 0.697330 0.763603 O\n0.641177 0.432960 0.463207 O\n0.064560 0.663169 0.110955 O\n0.415902 0.939896 0.220527 O\n0.144558 0.068032 0.962347 O\n0.387045 0.301397 0.253845 O\n0.630196 0.433104 0.083746 O\n0.947102 0.322763 0.911237 O\n0.466853 0.196155 0.022890 O\n0.008589 0.201796 0.187867 O\n0.112955 0.801397 0.246155 O\n0.858823 0.932960 0.036793 O\n0.869804 0.933104 0.416254 O\n0.283849 0.946232 0.784343 O\n0.552898 0.822763 0.588763 O\n0.539781 0.809221 0.979781 O\n0.515060 0.305572 0.695457 O\n0.858120 0.197330 0.736397 O\n0.580947 0.063341 0.776716 O\n0.216151 0.446232 0.715657 O\n0.138143 0.055999 0.569913 O\n0.960219 0.309221 0.520219 O\n0.919053 0.563341 0.723284 O\n0.775322 0.553384 0.277256 O\n0.084098 0.439896 0.279473 O\n0.984940 0.805572 0.804543 O\n0.724678 0.053384 0.222744 O\n0.355442 0.568032 0.537653 O\n0.435440 0.163169 0.389045 O\n0.033147 0.696155 0.477110 O\n",
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{
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{
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{
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}