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{
"id": "mp-1216458",
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"structure_string": "Y8 Zr2 Mn10 O30\n1.0\n6.249452 0.000000 0.000000\n-3.121953 9.031470 0.000000\n-3.096005 -1.832101 11.499131\nY Zr Mn O\n8 2 10 30\ndirect\n0.855047 0.953790 0.757429 Y\n0.240649 0.745458 0.735422 Y\n0.665322 0.553229 0.775634 Y\n0.068368 0.353280 0.777782 Y\n0.747950 0.248370 0.249196 Y\n0.143220 0.048348 0.244608 Y\n0.967171 0.658005 0.279184 Y\n0.370379 0.457271 0.278522 Y\n0.434125 0.149106 0.727794 Zr\n0.537995 0.845162 0.226104 Zr\n0.581005 0.300847 0.506363 Mn\n0.168015 0.489406 0.506924 Mn\n0.762843 0.710902 0.508939 Mn\n0.385323 0.905372 0.504766 Mn\n0.956678 0.098639 0.501976 Mn\n0.927714 0.203219 0.006086 Mn\n0.542447 0.397093 0.010888 Mn\n0.136574 0.599806 0.006978 Mn\n0.737469 0.798207 0.003019 Mn\n0.339136 0.007835 0.001558 Mn\n0.680139 0.337195 0.674642 O\n0.273034 0.522518 0.673534 O\n0.857794 0.727758 0.674439 O\n0.466155 0.940735 0.670484 O\n0.080652 0.143717 0.681200 O\n0.056758 0.243582 0.173254 O\n0.638130 0.448563 0.180195 O\n0.233128 0.632016 0.175627 O\n0.835553 0.822977 0.170325 O\n0.427514 0.025148 0.170397 O\n0.452723 0.343127 0.840121 O\n0.058645 0.583572 0.842162 O\n0.620942 0.771700 0.838209 O\n0.257649 0.979923 0.832278 O\n0.792412 0.162613 0.837453 O\n0.463974 0.254866 0.340777 O\n0.061483 0.463700 0.341421 O\n0.666510 0.698185 0.341350 O\n0.303608 0.874051 0.337431 O\n0.840982 0.043685 0.324264 O\n0.620850 0.206956 0.035120 O\n0.000673 0.000031 0.002134 O\n0.421344 0.803373 0.032834 O\n0.791136 0.596943 0.985855 O\n0.189098 0.394944 0.983550 O\n0.714353 0.904625 0.532233 O\n0.098886 0.702365 0.502546 O\n0.497516 0.500183 0.487779 O\n0.895890 0.300961 0.493613 O\n0.323035 0.109313 0.528930 O\n",
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"formula_full": "Y8 Zr2 Mn10 O30",
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},
{
"id": "mp-1210571",
"created_at": "2022-09-04T14:41:59.406091Z",
"structure_string": "Na4 Cd6 P8 N2 Cl2 O28\n1.0\n2.709711 10.947878 0.000000\n-2.709711 10.947878 0.000000\n0.000000 7.358400 12.357286\nNa Cd P N Cl O\n4 6 8 2 2 28\ndirect\n0.758546 0.809007 0.651992 Na\n0.241454 0.190993 0.348008 Na\n0.190993 0.241454 0.848008 Na\n0.809007 0.758546 0.151992 Na\n0.160531 0.142354 0.657941 Cd\n0.839469 0.857646 0.342060 Cd\n0.857646 0.839469 0.842060 Cd\n0.142354 0.160531 0.157941 Cd\n0.456347 0.543653 0.750000 Cd\n0.543653 0.456347 0.250000 Cd\n0.643057 0.674633 0.003262 P\n0.356943 0.325367 0.996738 P\n0.325367 0.356943 0.496738 P\n0.674633 0.643057 0.503262 P\n0.614729 0.623006 0.834769 P\n0.385271 0.376994 0.165231 P\n0.376994 0.385271 0.665231 P\n0.623006 0.614729 0.334769 P\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.962555 0.037445 0.750000 Cl\n0.037445 0.962555 0.250000 Cl\n0.463881 0.449577 0.643967 O\n0.536119 0.550423 0.356033 O\n0.550423 0.536119 0.856033 O\n0.449577 0.463881 0.143967 O\n0.429268 0.355053 0.546288 O\n0.570732 0.644947 0.453712 O\n0.644947 0.570732 0.953712 O\n0.355053 0.429268 0.046288 O\n0.632729 0.040953 0.985809 O\n0.367271 0.959047 0.014191 O\n0.959047 0.367271 0.514191 O\n0.040953 0.632729 0.485809 O\n0.504222 0.735122 0.613902 O\n0.495778 0.264878 0.386098 O\n0.264878 0.495778 0.886098 O\n0.735122 0.504222 0.113902 O\n0.375546 0.164920 0.575632 O\n0.624454 0.835080 0.424368 O\n0.835080 0.624454 0.924368 O\n0.164920 0.375546 0.075632 O\n0.535925 0.127960 0.739052 O\n0.464075 0.872040 0.260948 O\n0.872040 0.464075 0.760948 O\n0.127960 0.535925 0.239052 O\n0.403367 0.909861 0.791039 O\n0.596633 0.090139 0.208961 O\n0.090139 0.596633 0.708961 O\n0.909861 0.403367 0.291039 O\n",
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{
"id": "mp-696138",
"created_at": "2022-09-04T14:41:59.331584Z",
"structure_string": "Li20 Ge2 P4 S24\n1.0\n8.589951 0.000000 0.000000\n-0.038606 8.879457 0.000000\n-0.145520 -0.449870 12.966344\nLi Ge P S\n20 2 4 24\ndirect\n0.988731 0.517091 0.951737 Li\n0.964494 0.517122 0.426323 Li\n0.510560 0.964841 0.548952 Li\n0.496362 0.996322 0.050650 Li\n0.259813 0.289313 0.157581 Li\n0.743782 0.747107 0.281957 Li\n0.215961 0.817878 0.753553 Li\n0.229637 0.756992 0.251928 Li\n0.754058 0.220105 0.351526 Li\n0.462047 0.516080 0.750774 Li\n0.229648 0.228134 0.366070 Li\n0.734246 0.256375 0.857268 Li\n0.245054 0.761129 0.005788 Li\n0.741401 0.262856 0.131403 Li\n0.764169 0.728258 0.689454 Li\n0.221496 0.258835 0.919428 Li\n0.748126 0.761109 0.008403 Li\n0.244196 0.719655 0.484936 Li\n0.783410 0.214588 0.625465 Li\n0.241191 0.211805 0.649682 Li\n0.996867 0.487973 0.183111 Ge\n0.508840 0.990750 0.815620 Ge\n0.992639 0.965014 0.501844 P\n0.492400 0.515630 0.993084 P\n0.008359 0.483176 0.684436 P\n0.487815 0.009181 0.310501 P\n0.988694 0.176436 0.443843 S\n0.004602 0.793931 0.389655 S\n0.295661 0.530858 0.901258 S\n0.684257 0.530324 0.899685 S\n0.495531 0.694843 0.097156 S\n0.486933 0.310159 0.059399 S\n0.195779 0.947646 0.588345 S\n0.801643 0.945826 0.589921 S\n0.006886 0.295685 0.065453 S\n0.000766 0.709233 0.103834 S\n0.212362 0.486300 0.601039 S\n0.815044 0.491010 0.589560 S\n0.484880 0.800522 0.375123 S\n0.495774 0.178759 0.422445 S\n0.284889 0.989074 0.905463 S\n0.713755 0.999003 0.921546 S\n0.993095 0.663136 0.787619 S\n0.003085 0.281504 0.760474 S\n0.779252 0.466179 0.273220 S\n0.201189 0.478585 0.291583 S\n0.517461 0.200988 0.721480 S\n0.492474 0.792654 0.703009 S\n0.685876 0.015936 0.221404 S\n0.292208 0.031187 0.219211 S\n",
"nsites": 50,
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"elements": [
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"formula_full": "Li20 Ge2 P4 S24",
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{
"id": "mp-1196467",
"created_at": "2022-09-04T14:41:59.668041Z",
"structure_string": "Rb4 Cu6 P8 O24 F8\n1.0\n9.614148 0.000000 0.000000\n0.000000 7.869671 0.000000\n0.000000 0.881145 9.334593\nRb Cu P O F\n4 6 8 24 8\ndirect\n0.539694 0.381029 0.186497 Rb\n0.039694 0.618971 0.313503 Rb\n0.460306 0.618971 0.813503 Rb\n0.960306 0.381029 0.686497 Rb\n0.645610 0.888356 0.184119 Cu\n0.145610 0.111644 0.315881 Cu\n0.354390 0.111644 0.815881 Cu\n0.854390 0.888356 0.684119 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.688695 0.108451 0.888133 P\n0.188695 0.891549 0.611867 P\n0.311305 0.891549 0.111867 P\n0.811305 0.108451 0.388133 P\n0.814523 0.687712 0.981968 P\n0.314523 0.312288 0.518032 P\n0.185477 0.312288 0.018032 P\n0.685477 0.687712 0.481968 P\n0.659364 0.093735 0.048788 O\n0.159364 0.906265 0.451212 O\n0.340636 0.906265 0.951212 O\n0.840636 0.093735 0.548788 O\n0.666217 0.731496 0.027318 O\n0.166217 0.268504 0.472682 O\n0.333783 0.268504 0.972682 O\n0.833783 0.731496 0.527318 O\n0.168572 0.317867 0.179462 O\n0.668572 0.682133 0.320538 O\n0.831428 0.682133 0.820538 O\n0.331428 0.317867 0.679462 O\n0.663145 0.040503 0.354170 O\n0.163145 0.959497 0.145830 O\n0.336855 0.959497 0.645830 O\n0.836855 0.040503 0.854170 O\n0.429038 0.220748 0.442146 O\n0.929038 0.779252 0.057854 O\n0.570962 0.779252 0.557854 O\n0.070962 0.220748 0.942146 O\n0.420033 0.943938 0.213766 O\n0.920033 0.056062 0.286234 O\n0.579967 0.056062 0.786234 O\n0.079967 0.943938 0.713766 O\n0.702857 0.312791 0.852812 F\n0.202857 0.687209 0.647188 F\n0.297143 0.687209 0.147188 F\n0.797143 0.312791 0.352812 F\n0.835983 0.494162 0.045907 F\n0.335983 0.505838 0.454093 F\n0.164017 0.505838 0.954093 F\n0.664017 0.494162 0.545907 F\n",
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{
"id": "mp-1221445",
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"structure_string": "Na6 Al6 Ge6 O32\n1.0\n6.487774 -6.551647 0.000000\n6.487774 6.551647 0.000000\n-0.128374 0.000000 9.219480\nNa Al Ge O\n6 6 6 32\ndirect\n0.314153 0.685328 0.313295 Na\n0.685328 0.313295 0.314153 Na\n0.313295 0.314153 0.685328 Na\n0.185328 0.814153 0.813295 Na\n0.813295 0.185328 0.814153 Na\n0.814153 0.813295 0.185328 Na\n0.503243 0.752384 0.997381 Al\n0.997381 0.503243 0.752384 Al\n0.752384 0.997381 0.503243 Al\n0.003243 0.497381 0.252384 Al\n0.252384 0.003243 0.497381 Al\n0.497381 0.252384 0.003243 Al\n0.998928 0.751435 0.503232 Ge\n0.503232 0.998928 0.751435 Ge\n0.751435 0.503232 0.998928 Ge\n0.498928 0.003232 0.251435 Ge\n0.251435 0.498928 0.003232 Ge\n0.003232 0.251435 0.498928 Ge\n0.651923 0.651317 0.939019 O\n0.939019 0.651923 0.651317 O\n0.651317 0.939019 0.651923 O\n0.361238 0.644812 0.068790 O\n0.070224 0.643535 0.361545 O\n0.358140 0.928074 0.356482 O\n0.643535 0.361545 0.070224 O\n0.928074 0.356482 0.358140 O\n0.644812 0.068790 0.361238 O\n0.356482 0.358140 0.928074 O\n0.068790 0.361238 0.644812 O\n0.361545 0.070224 0.643535 O\n0.143535 0.570224 0.861545 O\n0.428074 0.858140 0.856482 O\n0.144812 0.861238 0.568790 O\n0.856482 0.428074 0.858140 O\n0.568790 0.144812 0.861238 O\n0.861545 0.143535 0.570224 O\n0.151923 0.439019 0.151317 O\n0.439019 0.151317 0.151923 O\n0.151317 0.151923 0.439019 O\n0.861238 0.568790 0.144812 O\n0.570224 0.861545 0.143535 O\n0.858140 0.856482 0.428074 O\n0.942153 0.942153 0.942153 O\n0.071550 0.914188 0.071631 O\n0.914188 0.071631 0.071550 O\n0.071631 0.071550 0.914188 O\n0.414188 0.571550 0.571631 O\n0.571631 0.414188 0.571550 O\n0.442153 0.442153 0.442153 O\n0.571550 0.571631 0.414188 O\n",
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"formula_full": "Na6 Al6 Ge6 O32",
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{
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"structure_string": "K2 Mg2 As2 H24 O20\n1.0\n6.242447 0.000000 0.000000\n0.000000 7.223410 0.000000\n0.000000 0.000000 11.249133\nK Mg As H O\n2 2 2 24 20\ndirect\n0.384714 0.500000 0.205995 K\n0.615286 0.000000 0.705995 K\n0.628844 0.000000 0.378556 Mg\n0.371156 0.500000 0.878556 Mg\n0.993054 0.500000 0.491967 As\n0.006946 0.000000 0.991967 As\n0.988866 0.112099 0.503390 H\n0.988866 0.887901 0.503390 H\n0.011134 0.387901 0.003390 H\n0.011134 0.612099 0.003390 H\n0.292456 0.898655 0.235306 H\n0.292456 0.101345 0.235306 H\n0.707544 0.601345 0.735306 H\n0.707544 0.398655 0.735306 H\n0.827622 0.318009 0.296486 H\n0.827622 0.681991 0.296486 H\n0.172378 0.181991 0.796486 H\n0.172378 0.818009 0.796486 H\n0.794263 0.196032 0.181262 H\n0.794263 0.803968 0.181262 H\n0.205737 0.303968 0.681262 H\n0.205737 0.696032 0.681262 H\n0.596791 0.321985 0.507373 H\n0.596791 0.678015 0.507373 H\n0.403209 0.178015 0.007373 H\n0.403209 0.821985 0.007373 H\n0.353418 0.247375 0.500577 H\n0.353418 0.752625 0.500577 H\n0.646582 0.252625 0.000577 H\n0.646582 0.747375 0.000577 H\n0.991538 0.500000 0.338979 O\n0.008462 0.000000 0.838979 O\n0.735379 0.500000 0.547693 O\n0.264621 0.000000 0.047693 O\n0.119838 0.303904 0.544394 O\n0.119838 0.696096 0.544394 O\n0.880162 0.196096 0.044394 O\n0.880162 0.803904 0.044394 O\n0.731004 0.219410 0.262861 O\n0.731004 0.780590 0.262861 O\n0.268996 0.280590 0.762861 O\n0.268996 0.719410 0.762861 O\n0.507760 0.208738 0.488054 O\n0.507760 0.791262 0.488054 O\n0.492240 0.291262 0.988054 O\n0.492240 0.708738 0.988054 O\n0.323210 0.000000 0.289879 O\n0.676790 0.500000 0.789879 O\n0.896137 0.000000 0.490548 O\n0.103863 0.500000 0.990548 O\n",
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{
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