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{
"id": "mp-570775",
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{
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"structure_string": "Cu4 H80 C8 S12 N32 O32\n1.0\n8.388608 0.000000 0.000000\n0.000000 13.412188 0.000000\n0.000000 9.152660 14.489913\nCu H C S N O\n4 80 8 12 32 32\ndirect\n0.539045 0.870237 0.644593 Cu\n0.039045 0.129763 0.855407 Cu\n0.460955 0.129763 0.355407 Cu\n0.960955 0.870237 0.144593 Cu\n0.712879 0.181320 0.556465 H\n0.212879 0.818680 0.943535 H\n0.287121 0.818680 0.443535 H\n0.787121 0.181320 0.056465 H\n0.242987 0.682953 0.843404 H\n0.742987 0.317047 0.656596 H\n0.757013 0.317047 0.156596 H\n0.257013 0.682953 0.343404 H\n0.501174 0.062538 0.641625 H\n0.001174 0.937462 0.858375 H\n0.498826 0.937462 0.358375 H\n0.998826 0.062538 0.141625 H\n0.280173 0.887883 0.720359 H\n0.780173 0.112117 0.779641 H\n0.719827 0.112117 0.279641 H\n0.219827 0.887883 0.220359 H\n0.666916 0.990539 0.702842 H\n0.166916 0.009461 0.797158 H\n0.333084 0.009461 0.297158 H\n0.833084 0.990539 0.202842 H\n0.435495 0.832143 0.795396 H\n0.935495 0.167857 0.704604 H\n0.564505 0.167857 0.204604 H\n0.064505 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0.764303 H\n0.348514 0.328111 0.735697 H\n0.151486 0.328111 0.235697 H\n0.651486 0.671889 0.264303 H\n0.958998 0.681786 0.685233 H\n0.458998 0.318214 0.814767 H\n0.041002 0.318214 0.314767 H\n0.541002 0.681786 0.185233 H\n0.207858 0.617568 0.995733 H\n0.707858 0.382432 0.504267 H\n0.792142 0.382432 0.004267 H\n0.292142 0.617568 0.495733 H\n0.045555 0.688185 0.946077 H\n0.545555 0.311815 0.553923 H\n0.954445 0.311815 0.053923 H\n0.454445 0.688185 0.446077 H\n0.645876 0.505318 0.997732 H\n0.145876 0.494682 0.502268 H\n0.354124 0.494682 0.002268 H\n0.854124 0.505318 0.497732 H\n0.667426 0.576844 0.892586 H\n0.167426 0.423156 0.607414 H\n0.332574 0.423156 0.107414 H\n0.832574 0.576844 0.392586 H\n0.767947 0.060954 0.515699 C\n0.267947 0.939046 0.984301 C\n0.232053 0.939046 0.484301 C\n0.732053 0.060954 0.015699 C\n0.353706 0.646353 0.752096 C\n0.853706 0.353647 0.747904 C\n0.646294 0.353647 0.247904 C\n0.146294 0.646353 0.252096 C\n0.716601 0.928306 0.529345 S\n0.216601 0.071694 0.970655 S\n0.283399 0.071694 0.470655 S\n0.783399 0.928306 0.029345 S\n0.473829 0.698262 0.656450 S\n0.973829 0.301738 0.843550 S\n0.526171 0.301738 0.343550 S\n0.026171 0.698262 0.156450 S\n0.739803 0.796551 0.863061 S\n0.239803 0.203449 0.636939 S\n0.260197 0.203449 0.136939 S\n0.760197 0.796551 0.363061 S\n0.704144 0.096579 0.568331 N\n0.204144 0.903421 0.931669 N\n0.295856 0.903421 0.431669 N\n0.795856 0.096579 0.068331 N\n0.310638 0.714302 0.784043 N\n0.810638 0.285698 0.715957 N\n0.689362 0.285698 0.215957 N\n0.189362 0.714302 0.284043 N\n0.603965 0.018973 0.642210 N\n0.103965 0.981027 0.857790 N\n0.396035 0.981027 0.357790 N\n0.896035 0.018973 0.142210 N\n0.374511 0.828391 0.744479 N\n0.874511 0.171609 0.755521 N\n0.625489 0.171609 0.255521 N\n0.125489 0.828391 0.244479 N\n0.873158 0.129218 0.449657 N\n0.373158 0.870782 0.050343 N\n0.126842 0.870782 0.550343 N\n0.626842 0.129218 0.949657 N\n0.297971 0.536119 0.795737 N\n0.797971 0.463881 0.704263 N\n0.702029 0.463881 0.204263 N\n0.202029 0.536119 0.295737 N\n0.925368 0.239867 0.430743 N\n0.425368 0.760133 0.069257 N\n0.074632 0.760133 0.569257 N\n0.574632 0.239867 0.930743 N\n0.200629 0.498736 0.873328 N\n0.700629 0.501264 0.626672 N\n0.799371 0.501264 0.126672 N\n0.299371 0.498736 0.373328 N\n0.580503 0.827525 0.884744 O\n0.080503 0.172475 0.615256 O\n0.419497 0.172475 0.115256 O\n0.919497 0.827525 0.384744 O\n0.827225 0.910246 0.798424 O\n0.327225 0.089754 0.701576 O\n0.172775 0.089754 0.201576 O\n0.672775 0.910246 0.298424 O\n0.712475 0.733541 0.813892 O\n0.212475 0.266459 0.686108 O\n0.287525 0.266459 0.186108 O\n0.787525 0.733541 0.313892 O\n0.834180 0.723936 0.948325 O\n0.334180 0.276064 0.551675 O\n0.165820 0.276064 0.051675 O\n0.665820 0.723936 0.448325 O\n0.060624 0.935740 0.677804 O\n0.560624 0.064260 0.822196 O\n0.939376 0.064260 0.322196 O\n0.439376 0.935740 0.177804 O\n0.916622 0.625656 0.748062 O\n0.416622 0.374344 0.751938 O\n0.083378 0.374344 0.251938 O\n0.583378 0.625656 0.248062 O\n0.163381 0.690647 0.941212 O\n0.663381 0.309353 0.558788 O\n0.836619 0.309353 0.058788 O\n0.336619 0.690647 0.441212 O\n0.649045 0.495248 0.945273 O\n0.149045 0.504752 0.554727 O\n0.350955 0.504752 0.054727 O\n0.850955 0.495248 0.445273 O\n",
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"formula_full": "Cu4 H80 C8 S12 N32 O32",
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{
"id": "mp-556425",
"created_at": "2022-09-04T14:47:17.651140Z",
"structure_string": "Sb16 F64\n1.0\n12.255957 0.000000 0.000000\n0.000000 9.607517 0.000000\n0.000000 3.436190 11.309347\nSb F\n16 64\ndirect\n0.578666 0.240145 0.558518 Sb\n0.078666 0.759855 0.941482 Sb\n0.659123 0.772380 0.045225 Sb\n0.908670 0.201298 0.707666 Sb\n0.921334 0.240145 0.058518 Sb\n0.847404 0.384795 0.351380 Sb\n0.840877 0.772380 0.545225 Sb\n0.340877 0.227620 0.954775 Sb\n0.591330 0.201298 0.207666 Sb\n0.347404 0.615205 0.148620 Sb\n0.421334 0.759855 0.441482 Sb\n0.408670 0.798702 0.792334 Sb\n0.159123 0.227620 0.454775 Sb\n0.652596 0.384795 0.851380 Sb\n0.152596 0.615205 0.648620 Sb\n0.091330 0.798702 0.292334 Sb\n0.415577 0.647931 0.326333 F\n0.684405 0.625596 0.968922 F\n0.793205 0.137778 0.131794 F\n0.888088 0.341217 0.541296 F\n0.458161 0.354490 0.488167 F\n0.080380 0.857733 0.062844 F\n0.118637 0.087154 0.377846 F\n0.815595 0.625596 0.468922 F\n0.580380 0.142267 0.437156 F\n0.021726 0.331399 0.728002 F\n0.679338 0.383132 0.459098 F\n0.478274 0.331399 0.228002 F\n0.320662 0.616868 0.540902 F\n0.658749 0.177152 0.898297 F\n0.381363 0.087154 0.877846 F\n0.056356 0.139686 0.582388 F\n0.492207 0.092783 0.661096 F\n0.775730 0.887378 0.963376 F\n0.507793 0.907217 0.338904 F\n0.275730 0.112622 0.536624 F\n0.841251 0.177152 0.398297 F\n0.584423 0.352069 0.673667 F\n0.943644 0.860314 0.417612 F\n0.300146 0.655882 0.755172 F\n0.007793 0.092783 0.161096 F\n0.179338 0.616868 0.040902 F\n0.158749 0.822848 0.601703 F\n0.967327 0.652058 0.628230 F\n0.224270 0.112622 0.036624 F\n0.724270 0.887378 0.463376 F\n0.706795 0.137778 0.631794 F\n0.618637 0.912846 0.122154 F\n0.745542 0.669352 0.177258 F\n0.419620 0.857733 0.562844 F\n0.521726 0.668601 0.771998 F\n0.293205 0.862222 0.368206 F\n0.919620 0.142267 0.937156 F\n0.111912 0.658783 0.458704 F\n0.881363 0.912846 0.622154 F\n0.978274 0.668601 0.271998 F\n0.315595 0.374404 0.031078 F\n0.341251 0.822848 0.101703 F\n0.541839 0.645510 0.511833 F\n0.041839 0.354490 0.988167 F\n0.184405 0.374404 0.531078 F\n0.820662 0.383132 0.959098 F\n0.556356 0.860314 0.917612 F\n0.254458 0.330648 0.822742 F\n0.245542 0.330648 0.322742 F\n0.699854 0.344118 0.244828 F\n0.611912 0.341217 0.041296 F\n0.992207 0.907217 0.838904 F\n0.467327 0.347942 0.871770 F\n0.958161 0.645510 0.011833 F\n0.532673 0.652058 0.128230 F\n0.754458 0.669352 0.677258 F\n0.443644 0.139686 0.082388 F\n0.800146 0.344118 0.744828 F\n0.032673 0.347942 0.371770 F\n0.915577 0.352069 0.173667 F\n0.388088 0.658783 0.958704 F\n0.084423 0.647931 0.826333 F\n0.206795 0.862222 0.868206 F\n0.199854 0.655882 0.255172 F\n",
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{
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"structure_string": "Mn8 Te4 S4 O32\n1.0\n7.390182 0.000000 0.000000\n0.000000 8.604491 0.000000\n0.000000 0.000000 9.926926\nMn Te S O\n8 4 4 32\ndirect\n0.319078 0.050015 0.087147 Mn\n0.680922 0.550015 0.912853 Mn\n0.319078 0.949985 0.412853 Mn\n0.680922 0.449985 0.587147 Mn\n0.680922 0.949985 0.912853 Mn\n0.319078 0.449985 0.087147 Mn\n0.680922 0.050015 0.587147 Mn\n0.319078 0.550015 0.412853 Mn\n0.647576 0.250000 0.281190 Te\n0.352424 0.750000 0.718810 Te\n0.647576 0.750000 0.218810 Te\n0.352424 0.250000 0.781190 Te\n0.945689 0.250000 0.969083 S\n0.054311 0.750000 0.030917 S\n0.945689 0.750000 0.530917 S\n0.054311 0.250000 0.469083 S\n0.126317 0.250000 0.042406 O\n0.873683 0.750000 0.957594 O\n0.126317 0.750000 0.457594 O\n0.873683 0.250000 0.542406 O\n0.443116 0.250000 0.163015 O\n0.556884 0.750000 0.836985 O\n0.443116 0.750000 0.336985 O\n0.556884 0.250000 0.663015 O\n0.981346 0.250000 0.825636 O\n0.018654 0.750000 0.174364 O\n0.981346 0.750000 0.674364 O\n0.018654 0.250000 0.325636 O\n0.222720 0.000000 0.250000 O\n0.777280 0.500000 0.750000 O\n0.777280 0.000000 0.750000 O\n0.222720 0.500000 0.250000 O\n0.568196 0.084926 0.398019 O\n0.431804 0.584926 0.601981 O\n0.568196 0.915074 0.101981 O\n0.431804 0.415074 0.898019 O\n0.431804 0.915074 0.601981 O\n0.568196 0.415074 0.398019 O\n0.431804 0.084926 0.898019 O\n0.568196 0.584926 0.101981 O\n0.158249 0.889711 0.983432 O\n0.841751 0.389711 0.016568 O\n0.158249 0.110289 0.516568 O\n0.841751 0.610289 0.483432 O\n0.841751 0.110289 0.016568 O\n0.158249 0.610289 0.983432 O\n0.841751 0.889711 0.483432 O\n0.158249 0.389711 0.516568 O\n",
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{
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"structure_string": "K3 Ag3 As2\n1.0\n7.387329 -3.050390 0.000000\n7.387329 3.050390 0.000000\n6.127756 0.000000 5.131093\nK Ag As\n3 3 2\ndirect\n0.091200 0.091200 0.091200 K\n0.908800 0.908800 0.908800 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.754348 0.754348 0.754348 As\n0.245652 0.245652 0.245652 As\n",
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{
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