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{
"id": "mp-1198749",
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"structure_string": "Ca4 Al4 Si12 Sn2 H12 O44\n1.0\n-0.016764 0.000000 -7.560446\n0.000000 -7.829881 0.000000\n-15.726889 0.000000 3.105950\nCa Al Si Sn H O\n4 4 12 2 12 44\ndirect\n0.997345 0.811338 0.200430 Ca\n0.002655 0.311338 0.299570 Ca\n0.002655 0.188662 0.799570 Ca\n0.997345 0.688662 0.700430 Ca\n0.320416 0.521764 0.228599 Al\n0.679584 0.021764 0.271401 Al\n0.679584 0.478236 0.771401 Al\n0.320416 0.978236 0.728599 Al\n0.287015 0.669238 0.043678 Si\n0.712985 0.169238 0.456322 Si\n0.712985 0.330762 0.956322 Si\n0.287015 0.830762 0.543678 Si\n0.693664 0.645253 0.333569 Si\n0.306336 0.145253 0.166431 Si\n0.306336 0.354747 0.666431 Si\n0.693664 0.854747 0.833569 Si\n0.667621 0.716295 0.006988 Si\n0.332379 0.216295 0.493012 Si\n0.332379 0.283705 0.993012 Si\n0.667621 0.783705 0.506988 Si\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.725473 0.509567 0.188446 H\n0.274527 0.009567 0.311554 H\n0.274527 0.490433 0.811554 H\n0.725473 0.990433 0.688446 H\n0.847156 0.467996 0.121410 H\n0.152844 0.967996 0.378590 H\n0.152844 0.532004 0.878590 H\n0.847156 0.032004 0.621410 H\n0.215936 0.631892 0.356655 H\n0.784064 0.131892 0.143345 H\n0.784064 0.368108 0.643345 H\n0.215936 0.868108 0.856655 H\n0.163284 0.698418 0.479725 O\n0.836716 0.198417 0.020275 O\n0.836716 0.301582 0.520275 O\n0.163284 0.801582 0.979725 O\n0.265106 0.483917 0.992594 O\n0.734894 0.983917 0.507406 O\n0.734894 0.516083 0.007406 O\n0.265106 0.016083 0.492594 O\n0.762972 0.809453 0.284726 O\n0.237028 0.309453 0.215274 O\n0.237028 0.190547 0.715274 O\n0.762972 0.690547 0.784726 O\n0.861989 0.522284 0.375454 O\n0.138011 0.022284 0.124546 O\n0.138011 0.477716 0.624546 O\n0.861989 0.977716 0.875454 O\n0.233982 0.644074 0.136666 O\n0.766018 0.144074 0.363334 O\n0.766018 0.355926 0.863334 O\n0.233982 0.855926 0.636666 O\n0.835416 0.832323 0.054731 O\n0.164584 0.332323 0.445269 O\n0.164584 0.167677 0.945269 O\n0.835416 0.667677 0.554731 O\n0.553511 0.533934 0.264560 O\n0.446489 0.033934 0.235440 O\n0.446489 0.466066 0.735440 O\n0.553511 0.966066 0.764560 O\n0.852240 0.503276 0.181096 O\n0.147760 0.003276 0.318904 O\n0.147760 0.496724 0.818904 O\n0.852240 0.996724 0.681096 O\n0.181460 0.605230 0.296319 O\n0.818540 0.105230 0.203681 O\n0.818540 0.394770 0.703681 O\n0.181460 0.894770 0.796319 O\n0.501789 0.724095 0.058692 O\n0.498211 0.224095 0.441308 O\n0.498211 0.275905 0.941308 O\n0.501789 0.775905 0.558692 O\n0.593517 0.723376 0.408356 O\n0.406483 0.223376 0.091644 O\n0.406483 0.276624 0.591644 O\n0.593517 0.776624 0.908356 O\n",
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"formula_full": "Ca4 Al4 Si12 Sn2 H12 O44",
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"spacegroup": 14
},
{
"id": "mp-1027905",
"created_at": "2022-09-04T14:47:45.292316Z",
"structure_string": "Mg14 Zn1 Bi1\n1.0\n6.344687 -0.090910 0.000000\n-3.251073 5.631024 0.000000\n0.000000 0.000000 10.366019\nMg Zn Bi\n14 1 1\ndirect\n0.167938 0.333969 0.625000 Mg\n0.167950 0.833974 0.625000 Mg\n0.668433 0.333887 0.125000 Mg\n0.666547 0.333423 0.625000 Mg\n0.668433 0.834545 0.125000 Mg\n0.666547 0.833123 0.625000 Mg\n0.333137 0.171985 0.375356 Mg\n0.333137 0.171985 0.874644 Mg\n0.333137 0.661153 0.375356 Mg\n0.333137 0.661153 0.874644 Mg\n0.835782 0.167891 0.373688 Mg\n0.835782 0.167891 0.876312 Mg\n0.829602 0.664802 0.379035 Mg\n0.829602 0.664802 0.870965 Mg\n0.163577 0.331788 0.125000 Zn\n0.167258 0.833628 0.125000 Bi\n",
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},
{
"id": "mp-667508",
"created_at": "2022-09-04T14:41:22.375853Z",
"structure_string": "Ag16 C48 N48 O32\n1.0\n7.900555 0.000000 0.000000\n-3.936927 14.910514 0.000000\n-3.912816 -5.991713 17.686124\nAg C N O\n16 48 48 32\ndirect\n0.934546 0.565564 0.787093 Ag\n0.079358 0.931969 0.711158 Ag\n0.767069 0.859604 0.077561 Ag\n0.420841 0.580838 0.948749 Ag\n0.228508 0.139224 0.922227 Ag\n0.603804 0.079249 0.446796 Ag\n0.769615 0.547947 0.323440 Ag\n0.226416 0.453919 0.677701 Ag\n0.667177 0.355081 0.576425 Ag\n0.602869 0.046033 0.820862 Ag\n0.579753 0.423785 0.052531 Ag\n0.061599 0.432262 0.210158 Ag\n0.917921 0.065309 0.287969 Ag\n0.329480 0.641068 0.421382 Ag\n0.404275 0.952787 0.177216 Ag\n0.393181 0.920857 0.550791 Ag\n0.480773 0.675871 0.216108 C\n0.820772 0.915203 0.387714 C\n0.258453 0.888902 0.333657 C\n0.516781 0.323165 0.783680 C\n0.846414 0.607858 0.540454 C\n0.140735 0.417994 0.394262 C\n0.362393 0.878711 0.993398 C\n0.800259 0.108296 0.039523 C\n0.551735 0.244482 0.340088 C\n0.740355 0.112297 0.668464 C\n0.335480 0.154963 0.531203 C\n0.447965 0.754827 0.660365 C\n0.568662 0.840986 0.846092 C\n0.637394 0.121005 0.005952 C\n0.335066 0.299634 0.165122 C\n0.468064 0.254773 0.160982 C\n0.017671 0.584103 0.112329 C\n0.175718 0.084496 0.612050 C\n0.861197 0.581306 0.606028 C\n0.171983 0.916533 0.894102 C\n0.154042 0.392626 0.460302 C\n0.010164 0.377290 0.492931 C\n0.001744 0.259137 0.704696 C\n0.369229 0.198834 0.335765 C\n0.619124 0.339718 0.345206 C\n0.153056 0.345464 0.970764 C\n0.181149 0.127084 0.555287 C\n0.825174 0.083711 0.105884 C\n0.664992 0.699227 0.835120 C\n0.846341 0.652966 0.030248 C\n0.464377 0.388368 0.832953 C\n0.989657 0.621276 0.507115 C\n0.198681 0.891622 0.960451 C\n0.536904 0.612506 0.166963 C\n0.983171 0.415692 0.889303 C\n0.434284 0.159237 0.155515 C\n0.630100 0.800775 0.664999 C\n0.000392 0.371385 0.945035 C\n0.537705 0.240033 0.795029 C\n0.382918 0.659029 0.654277 C\n0.908997 0.176514 0.717142 C\n0.534741 0.745863 0.841480 C\n0.999206 0.627159 0.055675 C\n0.090420 0.825616 0.284471 C\n0.661279 0.846229 0.469179 C\n0.459889 0.758953 0.204403 C\n0.813589 0.870880 0.443390 C\n0.996181 0.742038 0.295191 C\n0.035887 0.547978 0.159363 N\n0.420940 0.443811 0.873179 N\n0.878829 0.556318 0.659547 N\n0.584125 0.560681 0.125416 N\n0.216783 0.160485 0.330304 N\n0.317588 0.382097 0.495721 N\n0.227000 0.338748 0.169932 N\n0.325133 0.579532 0.650114 N\n0.889964 0.365027 0.520278 N\n0.128397 0.442563 0.340496 N\n0.918329 0.672883 0.305187 N\n0.353789 0.692253 0.830959 N\n0.465057 0.176974 0.510107 N\n0.601075 0.057152 0.628439 N\n0.399254 0.943043 0.373349 N\n0.783779 0.837893 0.670989 N\n0.560787 0.171684 0.805339 N\n0.406653 0.080017 0.152557 N\n0.499980 0.130855 0.978139 N\n0.870547 0.366644 0.985251 N\n0.683536 0.618815 0.505572 N\n0.005758 0.850362 0.224250 N\n0.059221 0.881797 0.995301 N\n0.977849 0.864919 0.483143 N\n0.077549 0.327139 0.692670 N\n0.166784 0.048138 0.658749 N\n0.018479 0.134094 0.515296 N\n0.430826 0.651061 0.276081 N\n0.966257 0.455117 0.844553 N\n0.500554 0.869525 0.021873 N\n0.678662 0.418508 0.347711 N\n0.831304 0.953843 0.342303 N\n0.715390 0.672456 0.008040 N\n0.668393 0.190408 0.330282 N\n0.995563 0.151693 0.776809 N\n0.837295 0.060239 0.160132 N\n0.570937 0.348647 0.724481 N\n0.329466 0.807819 0.669797 N\n0.533861 0.827376 0.492043 N\n0.587179 0.919244 0.847644 N\n0.939883 0.119117 0.004816 N\n0.159596 0.940188 0.839897 N\n0.283613 0.325632 0.993114 N\n0.108141 0.631526 0.478292 N\n0.647715 0.309054 0.170609 N\n0.131838 0.634179 0.016868 N\n0.441918 0.827892 0.193892 N\n0.773874 0.661545 0.827325 N\n0.448067 0.393234 0.466924 O\n0.231005 0.729855 0.826220 O\n0.670269 0.640999 0.445383 O\n0.440668 0.574524 0.285615 O\n0.171000 0.769334 0.671488 O\n0.081261 0.927375 0.215218 O\n0.120261 0.897709 0.463508 O\n0.552999 0.606812 0.534173 O\n0.260235 0.600780 0.036539 O\n0.852745 0.793688 0.179723 O\n0.914528 0.139482 0.943832 O\n0.770405 0.271196 0.172106 O\n0.919539 0.074528 0.785855 O\n0.388377 0.895365 0.675999 O\n0.608523 0.103132 0.325113 O\n0.567214 0.426937 0.717126 O\n0.319430 0.604847 0.825629 O\n0.332088 0.362873 0.557164 O\n0.151021 0.206312 0.820211 O\n0.681348 0.396738 0.177480 O\n0.874779 0.102889 0.534520 O\n0.375597 0.706501 0.320141 O\n0.088202 0.108870 0.034207 O\n0.121915 0.669841 0.965041 O\n0.883845 0.333277 0.038305 O\n0.624426 0.292510 0.679962 O\n0.084199 0.863766 0.057244 O\n0.911850 0.892111 0.965117 O\n0.015554 0.168401 0.462734 O\n0.984771 0.830993 0.535861 O\n0.740504 0.398674 0.965296 O\n0.825537 0.227387 0.326545 O\n",
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{
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"structure_string": "K8 Be12 Co8 F48\n1.0\n10.254019 0.000000 0.000000\n0.000000 10.254019 0.000000\n0.000000 0.000000 10.254019\nK Be Co F\n8 12 8 48\ndirect\n0.051069 0.051069 0.051069 K\n0.448931 0.948931 0.551069 K\n0.948931 0.551069 0.448931 K\n0.551069 0.448931 0.948931 K\n0.815793 0.815793 0.815793 K\n0.684207 0.184207 0.315793 K\n0.184207 0.315793 0.684207 K\n0.315793 0.684207 0.184207 K\n0.020749 0.214323 0.376146 Be\n0.479251 0.785677 0.876146 Be\n0.979251 0.714323 0.123854 Be\n0.376146 0.020749 0.214323 Be\n0.520749 0.285677 0.623854 Be\n0.876146 0.479251 0.785677 Be\n0.123854 0.979251 0.714323 Be\n0.623854 0.520749 0.285677 Be\n0.214323 0.376146 0.020749 Be\n0.714323 0.123854 0.979251 Be\n0.285677 0.623854 0.520749 Be\n0.785677 0.876146 0.479251 Be\n0.336054 0.336054 0.336054 Co\n0.163946 0.663946 0.836054 Co\n0.663946 0.836054 0.163946 Co\n0.836054 0.163946 0.663946 Co\n0.600134 0.600134 0.600134 Co\n0.899866 0.399866 0.100134 Co\n0.399866 0.100134 0.899866 Co\n0.100134 0.899866 0.399866 Co\n0.016281 0.068726 0.328823 F\n0.483719 0.931274 0.828823 F\n0.983719 0.568726 0.171177 F\n0.328823 0.016281 0.068726 F\n0.516281 0.431274 0.671177 F\n0.828823 0.483719 0.931274 F\n0.171177 0.983719 0.568726 F\n0.671177 0.516281 0.431274 F\n0.068726 0.328823 0.016281 F\n0.568726 0.171177 0.983719 F\n0.431274 0.671177 0.516281 F\n0.931274 0.828823 0.483719 F\n0.267542 0.496479 0.437880 F\n0.232458 0.503521 0.937880 F\n0.732458 0.996479 0.062120 F\n0.437880 0.267542 0.496479 F\n0.767542 0.003521 0.562120 F\n0.937880 0.232458 0.503521 F\n0.062120 0.732458 0.996479 F\n0.562120 0.767542 0.003521 F\n0.496479 0.437880 0.267542 F\n0.996479 0.062120 0.732458 F\n0.003521 0.562120 0.767542 F\n0.503521 0.937880 0.232458 F\n0.047226 0.804320 0.228474 F\n0.452774 0.195680 0.728474 F\n0.952774 0.304320 0.271526 F\n0.228474 0.047226 0.804320 F\n0.547226 0.695680 0.771526 F\n0.728474 0.452774 0.195680 F\n0.271526 0.952774 0.304320 F\n0.771526 0.547226 0.695680 F\n0.804320 0.228474 0.047226 F\n0.304320 0.271526 0.952774 F\n0.695680 0.771526 0.547226 F\n0.195680 0.728474 0.452774 F\n0.163315 0.258156 0.403165 F\n0.336685 0.741844 0.903165 F\n0.836685 0.758156 0.096835 F\n0.403165 0.163315 0.258156 F\n0.663315 0.241844 0.596835 F\n0.903165 0.336685 0.741844 F\n0.096835 0.836685 0.758156 F\n0.596835 0.663315 0.241844 F\n0.258156 0.403165 0.163315 F\n0.758156 0.096835 0.836685 F\n0.241844 0.596835 0.663315 F\n0.741844 0.903165 0.336685 F\n",
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{
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"structure_string": "Li2 Sn1 P6 O18\n1.0\n7.590794 0.000000 0.000000\n-3.221289 6.943461 0.000000\n-1.499617 -3.096292 6.875170\nLi Sn P O\n2 1 6 18\ndirect\n0.516221 0.962522 0.423329 Li\n0.720672 0.866659 0.164570 Li\n0.242088 0.095178 0.831004 Sn\n0.964985 0.296209 0.732476 P\n0.316855 0.679885 0.790055 P\n0.225881 0.281401 0.505212 P\n0.815342 0.740699 0.514767 P\n0.006579 0.687738 0.223670 P\n0.670035 0.318092 0.231775 P\n0.103657 0.274229 0.892089 O\n0.471687 0.710578 0.960909 O\n0.079988 0.544666 0.777286 O\n0.741601 0.207428 0.696815 O\n0.349319 0.229432 0.650481 O\n0.001890 0.202237 0.532297 O\n0.333785 0.875875 0.760782 O\n0.933780 0.846041 0.738144 O\n0.319255 0.535004 0.590850 O\n0.203500 0.193859 0.300960 O\n0.704552 0.487496 0.439407 O\n0.639991 0.121825 0.251527 O\n0.009893 0.799855 0.444481 O\n0.667851 0.801296 0.432295 O\n0.226509 0.751341 0.249209 O\n0.881821 0.437714 0.198708 O\n0.492340 0.299992 0.075052 O\n0.866857 0.718518 0.087413 O\n",
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{
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}