{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=76","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=74","results":[{"id":"jvasp-96763","created_at":"2022-09-04T14:36:31.426729Z","updated_at":"2022-09-04T14:36:31.426764Z","structure_string":"Er10 Ru10 C19\n1.0\n7.205698 0.000000 -0.000000\n-3.602849 6.815858 -2.666642\n-0.000000 -0.004919 10.035867\nEr Ru C\n10 10 19\ndirect\n0.254685 0.509369 0.214532 Er\n0.000312 0.000624 0.989484 Er\n0.477846 0.955693 0.989356 Er\n0.323039 0.646078 0.613573 Er\n0.510925 0.021850 0.363887 Er\n0.142052 0.284103 0.764622 Er\n0.821710 0.643420 0.600086 Er\n0.625861 0.251722 0.738482 Er\n0.751056 0.502112 0.239634 Er\n0.016047 0.032094 0.380434 Er\n0.219982 0.945993 0.583453 Ru\n0.935605 0.353056 0.395645 Ru\n0.095871 0.767033 0.135432 Ru\n0.671162 0.767033 0.135432 Ru\n0.598528 0.620893 0.843452 Ru\n0.022365 0.620893 0.843452 Ru\n0.417452 0.353056 0.395645 Ru\n0.726010 0.945993 0.583453 Ru\n0.893517 0.354774 0.989495 Ru\n0.461258 0.354774 0.989495 Ru\n0.868282 0.235590 0.154422 C\n0.391902 0.580082 0.989334 C\n0.188180 0.580082 0.989334 C\n0.355354 0.216106 0.555893 C\n0.860752 0.216106 0.555893 C\n0.085260 0.649573 0.422679 C\n0.564313 0.649573 0.422679 C\n0.458494 0.413341 0.631072 C\n0.135762 0.771624 0.347816 C\n0.954847 0.413341 0.631072 C\n0.183243 0.870297 0.783006 C\n0.286440 0.077041 0.195938 C\n0.790601 0.077041 0.195938 C\n0.284865 0.070459 0.824452 C\n0.687055 0.870297 0.783006 C\n0.785595 0.070459 0.824452 C\n0.367307 0.235590 0.154422 C\n0.635862 0.771624 0.347816 C\n0.788056 0.576112 0.989381 C\n","nsites":39,"nelements":3,"elements":["Er","Ru","C"],"chemical_system":"C-Er-Ru","density":9.81062543662918,"density_atomic":0.07914006624689625,"volume":492.79716140659053,"volume_molar":7.60947146697161,"formula_full":"Er10 Ru10 C19","formula_reduced":"Er10Ru10C19","formula_anonymous":"A10B10C19","energy_above_hull":5.753531153846153,"spacegroup":8},{"id":"jvasp-25585","created_at":"2022-09-04T14:38:27.415062Z","updated_at":"2022-09-04T14:38:27.415074Z","structure_string":"Ca2 Mg5 Si8 O22 F2\n1.0\n5.272691 0.014526 0.640163\n1.945797 8.438209 4.707356\n0.017768 -0.002750 10.316402\nCa Mg Si O F\n2 5 8 22 2\ndirect\n0.500000 0.277189 0.445624 Ca\n0.500000 0.722812 0.554376 Ca\n0.500000 0.088279 0.823444 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.911722 0.176556 Mg\n0.000001 0.824314 0.351371 Mg\n0.000000 0.175686 0.648629 Mg\n0.701228 0.367792 0.832504 Si\n0.805765 0.881513 0.657110 Si\n0.298773 0.799704 0.832504 Si\n0.805765 0.538623 0.342890 Si\n0.298772 0.632209 0.167496 Si\n0.194236 0.461378 0.657110 Si\n0.701228 0.200297 0.167496 Si\n0.194235 0.118488 0.342890 Si\n0.209602 0.114914 0.499308 O\n0.591249 0.533842 0.238376 O\n0.104844 0.787267 0.726924 O\n0.209602 0.614222 0.500692 O\n0.291693 0.656418 0.000000 O\n0.895157 0.212733 0.273075 O\n0.725139 0.051183 0.660964 O\n0.790399 0.385779 0.499307 O\n0.725140 0.712148 0.339035 O\n0.218771 0.971364 0.831188 O\n0.895157 0.485809 0.726924 O\n0.274861 0.287852 0.660965 O\n0.790399 0.885086 0.500692 O\n0.781230 0.028637 0.168812 O\n0.408752 0.466159 0.761624 O\n0.708308 0.343583 -0.000000 O\n0.274861 0.948817 0.339035 O\n0.408751 0.227783 0.238376 O\n0.591249 0.772218 0.761624 O\n0.218771 0.802551 0.168812 O\n0.104843 0.514191 0.273076 O\n0.781230 0.197449 0.831187 O\n0.712893 0.896989 -0.000000 F\n0.287107 0.103011 -0.000000 F\n","nsites":39,"nelements":5,"elements":["Ca","Mg","Si","O","F"],"chemical_system":"Ca-F-Mg-O-Si","density":2.955413297220228,"density_atomic":0.0850272389897809,"volume":458.6765425217119,"volume_molar":7.08260180096378,"formula_full":"Ca2 Mg5 Si8 O22 F2","formula_reduced":"Ca2Mg5Si8(O11F)2","formula_anonymous":"A2B2C5D8E22","energy_above_hull":2.335804421923077,"spacegroup":12},{"id":"jvasp-61253","created_at":"2022-09-04T14:35:51.813795Z","updated_at":"2022-09-04T14:35:51.813816Z","structure_string":"K6 Al6 B6 O21\n1.0\n4.314808 -7.473467 0.000000\n4.314808 7.473467 -0.000000\n0.000000 -0.000000 8.425528\nK Al B O\n6 6 6 21\ndirect\n0.000000 0.314652 0.000000 K\n0.314652 0.000000 0.000000 K\n0.685348 0.685348 0.000000 K\n0.000000 0.354317 0.500000 K\n0.354317 0.000000 0.500000 K\n0.645683 0.645683 0.500000 K\n0.000000 0.000000 0.704873 Al\n0.000000 0.000000 0.295127 Al\n0.666667 0.333333 0.813182 Al\n0.333333 0.666667 0.186818 Al\n0.333333 0.666667 0.775142 Al\n0.666667 0.333333 0.224858 Al\n0.998838 0.664861 0.257973 B\n0.666023 0.001162 0.257973 B\n0.335140 0.333978 0.257973 B\n0.001162 0.666023 0.742028 B\n0.333978 0.335140 0.742028 B\n0.664861 0.998838 0.742028 B\n0.115539 0.599556 0.256564 O\n0.000000 0.000000 0.500000 O\n0.821141 0.550401 0.295363 O\n0.729260 0.178860 0.295363 O\n0.449600 0.270740 0.295363 O\n0.550401 0.821141 0.704638 O\n0.178860 0.729260 0.704638 O\n0.270740 0.449600 0.704638 O\n0.484018 0.884462 0.256564 O\n0.942105 0.784266 0.777255 O\n0.599556 0.115539 0.743437 O\n0.884462 0.484018 0.743437 O\n0.515983 0.400444 0.743437 O\n0.057896 0.842162 0.222745 O\n0.784266 0.942105 0.222745 O\n0.157839 0.215734 0.222745 O\n0.842162 0.057896 0.777255 O\n0.333333 0.666667 0.980974 O\n0.215734 0.157839 0.777255 O\n0.400444 0.515983 0.256564 O\n0.666667 0.333333 0.019026 O\n","nsites":39,"nelements":4,"elements":["K","Al","B","O"],"chemical_system":"Al-B-K-O","density":2.4365639176420815,"density_atomic":0.07177180833817841,"volume":543.3888444922221,"volume_molar":8.390677202425415,"formula_full":"K6 Al6 B6 O21","formula_reduced":"K2Al2B2O7","formula_anonymous":"A2B2C2D7","energy_above_hull":2.3678993282051284,"spacegroup":150},{"id":"jvasp-112081","created_at":"2022-09-04T14:38:43.911680Z","updated_at":"2022-09-04T14:38:43.911717Z","structure_string":"Ti1 H22 C12 O4\n1.0\n4.918283 -0.125004 0.828402\n-0.471792 6.851110 1.955817\n-0.078281 0.012055 10.151205\nTi H C O\n1 22 12 4\ndirect\n0.587903 0.299680 0.119022 Ti\n0.047185 0.794705 0.508540 H\n0.268889 0.188402 0.373527 H\n0.398257 0.979666 0.323398 H\n0.278394 0.544909 0.977175 H\n0.413979 0.390483 0.874290 H\n0.912460 0.607741 0.662953 H\n0.127706 0.098896 0.247647 H\n0.632938 0.460431 0.515607 H\n-0.010741 0.443734 0.483260 H\n0.062711 0.706421 0.270570 H\n0.630083 0.589116 0.890443 H\n0.632188 0.165855 0.749030 H\n0.730050 0.786475 0.306624 H\n0.104041 0.109946 0.736358 H\n0.044317 0.860452 0.746181 H\n0.817527 0.775770 0.987769 H\n0.141388 0.908486 0.972142 H\n0.514656 0.813378 0.488381 H\n0.484922 0.089360 0.560914 H\n0.839878 0.088202 0.516984 H\n0.521164 0.915457 0.814392 H\n0.464385 0.712452 0.669167 H\n0.937776 0.917860 0.943784 C\n0.680545 0.020193 0.739620 C\n0.957930 -0.020586 0.783506 C\n0.613554 0.801616 0.579230 C\n0.659089 0.009800 0.592644 C\n0.848078 0.658603 0.318389 C\n0.795223 0.061020 0.006241 C\n0.867989 0.690270 0.561026 C\n0.737136 0.529613 0.242613 C\n0.313796 0.120642 0.288634 C\n0.460070 0.476787 0.943694 C\n0.831962 0.547647 0.474603 C\n0.879488 0.395280 0.210985 O\n0.928701 0.215293 0.015259 O\n0.538260 0.041377 0.052043 O\n0.502218 0.540394 0.207204 O\n","nsites":39,"nelements":4,"elements":["Ti","H","C","O"],"chemical_system":"C-H-O-Ti","density":1.3514151365029377,"density_atomic":0.11410314635441576,"volume":341.7960086644947,"volume_molar":5.2778042958558125,"formula_full":"Ti1 H22 C12 O4","formula_reduced":"TiH22(C3O)4","formula_anonymous":"AB4C12D22","energy_above_hull":4.727621085470086,"spacegroup":1},{"id":"jvasp-97453","created_at":"2022-09-04T14:35:42.164106Z","updated_at":"2022-09-04T14:35:42.164132Z","structure_string":"Rb6 Si10 O23\n1.0\n9.573685 0.000000 0.000000\n-4.786842 8.291054 -0.000000\n0.000000 -0.000000 8.188238\nRb Si O\n6 10 23\ndirect\n0.252911 -0.000000 0.500000 Rb\n0.747088 0.747088 0.500000 Rb\n-0.000000 0.241230 0.000000 Rb\n0.241230 -0.000000 0.000000 Rb\n0.758770 0.758770 0.000000 Rb\n-0.000000 0.252911 0.500000 Rb\n0.333333 0.666667 0.802091 Si\n0.604517 -0.000000 0.698867 Si\n0.604517 -0.000000 0.301133 Si\n0.395482 0.395482 0.698867 Si\n-0.000000 0.604517 0.698867 Si\n0.395482 0.395482 0.301133 Si\n0.333333 0.666667 0.197909 Si\n0.666667 0.333333 0.197909 Si\n-0.000000 0.604517 0.301133 Si\n0.666667 0.333333 0.802091 Si\n0.567332 0.149621 0.264210 O\n0.248848 0.248848 0.786462 O\n0.567332 0.149621 0.735790 O\n0.432668 0.582289 0.735790 O\n-0.000000 0.626608 0.500000 O\n0.417711 0.850379 0.735790 O\n-0.000000 0.751151 0.213538 O\n0.626608 -0.000000 0.500000 O\n0.751151 -0.000000 0.213538 O\n0.417711 0.850379 0.264210 O\n0.373392 0.373392 0.500000 O\n0.850379 0.417711 0.735790 O\n0.850379 0.417711 0.264210 O\n0.582289 0.432668 0.264210 O\n0.582289 0.432668 0.735790 O\n0.751151 -0.000000 0.786462 O\n0.149621 0.567332 0.735790 O\n0.432668 0.582289 0.264210 O\n-0.000000 0.751151 0.786462 O\n0.248848 0.248848 0.213538 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149621 0.567332 0.264210 O\n","nsites":39,"nelements":3,"elements":["Rb","Si","O"],"chemical_system":"O-Rb-Si","density":2.9678661565164903,"density_atomic":0.06000470043806736,"volume":649.9490825765068,"volume_molar":10.036115031047661,"formula_full":"Rb6 Si10 O23","formula_reduced":"Rb6Si10O23","formula_anonymous":"A6B10C23","energy_above_hull":2.628361448717948,"spacegroup":189},{"id":"jvasp-101880","created_at":"2022-09-04T14:36:48.561088Z","updated_at":"2022-09-04T14:36:48.561102Z","structure_string":"Sn1 H22 C12 O4\n1.0\n4.964839 -0.060145 0.263473\n-0.164213 6.875132 2.185412\n0.013285 -0.283016 9.976635\nSn H C O\n1 22 12 4\ndirect\n0.451945 0.286688 0.106963 Sn\n0.078463 0.763991 0.513338 H\n0.340298 0.111326 0.377829 H\n0.297953 0.941803 0.276364 H\n0.724053 0.560402 0.905547 H\n0.367250 0.602806 0.900625 H\n0.937606 0.604706 0.670282 H\n0.040396 0.112755 0.286057 H\n0.610786 0.476425 0.521612 H\n0.952962 0.417551 0.503860 H\n0.033995 0.653262 0.283204 H\n0.506220 0.419965 0.829175 H\n0.726766 0.151903 0.763371 H\n0.729563 0.774901 0.301318 H\n0.190995 0.058337 0.757622 H\n0.099030 0.814558 0.775160 H\n0.903988 0.770261 0.014392 H\n0.237797 0.872656 0.002290 H\n0.580837 0.860173 0.461637 H\n0.571824 0.116255 0.557066 H\n0.918163 0.083337 0.532369 H\n0.603014 0.911420 0.813894 H\n0.498884 0.748892 0.638831 H\n0.033269 0.898771 0.965936 C\n0.763029 0.007879 0.749154 C\n0.037170 0.943908 0.805105 C\n0.664368 0.824691 0.564884 C\n0.734269 0.016792 0.595334 C\n0.822908 0.634001 0.324035 C\n0.923929 0.069290 0.009395 C\n0.891919 0.683935 0.563299 C\n0.674405 0.514693 0.247973 C\n0.255582 0.086597 0.285081 C\n0.522346 0.495371 0.909872 C\n0.814867 0.538191 0.483371 C\n0.796927 0.377115 0.211991 O\n0.067375 0.222171 0.986883 O\n0.678086 0.051590 0.062365 O\n0.430434 0.545210 0.218369 O\n","nsites":39,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":1.6871767901407142,"density_atomic":0.11353699225164107,"volume":343.5003801541721,"volume_molar":5.304122154876757,"formula_full":"Sn1 H22 C12 O4","formula_reduced":"SnH22(C3O)4","formula_anonymous":"AB4C12D22","energy_above_hull":4.615169889743589,"spacegroup":1},{"id":"jvasp-95480","created_at":"2022-09-04T14:35:41.994647Z","updated_at":"2022-09-04T14:35:41.994679Z","structure_string":"Rb6 Si10 O23\n1.0\n9.611258 0.000000 -0.000000\n-4.805630 8.323594 -0.000000\n-0.000000 -0.000000 8.228410\nRb Si O\n6 10 23\ndirect\n0.253109 -0.000000 0.500000 Rb\n0.746891 0.746891 0.500000 Rb\n-0.000000 0.239748 0.000000 Rb\n0.239748 -0.000000 0.000000 Rb\n0.760251 0.760251 0.000000 Rb\n-0.000000 0.253109 0.500000 Rb\n0.333333 0.666667 0.802606 Si\n0.605240 -0.000000 0.698581 Si\n0.605240 -0.000000 0.301419 Si\n0.394760 0.394760 0.698581 Si\n-0.000000 0.605239 0.698581 Si\n0.394760 0.394760 0.301419 Si\n0.333333 0.666667 0.197394 Si\n0.666667 0.333333 0.197394 Si\n-0.000000 0.605239 0.301419 Si\n0.666667 0.333333 0.802606 Si\n0.569403 0.149814 0.263284 O\n0.247736 0.247736 0.784505 O\n0.569403 0.149814 0.736716 O\n0.430597 0.580411 0.736716 O\n-0.000000 0.625149 0.500000 O\n0.419589 0.850186 0.736716 O\n-0.000000 0.752263 0.215495 O\n0.625149 -0.000000 0.500000 O\n0.752264 -0.000000 0.215495 O\n0.419589 0.850186 0.263284 O\n0.374851 0.374851 0.500000 O\n0.850186 0.419589 0.736716 O\n0.850186 0.419589 0.263284 O\n0.580411 0.430597 0.263284 O\n0.580411 0.430597 0.736716 O\n0.752264 -0.000000 0.784505 O\n0.149814 0.569403 0.736716 O\n0.430597 0.580411 0.263284 O\n-0.000000 0.752263 0.784505 O\n0.247736 0.247736 0.215495 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149814 0.569403 0.263284 O\n","nsites":39,"nelements":3,"elements":["Rb","Si","O"],"chemical_system":"O-Rb-Si","density":2.9303304588626644,"density_atomic":0.05924579886546567,"volume":658.2745232039241,"volume_molar":10.164671378092097,"formula_full":"Rb6 Si10 O23","formula_reduced":"Rb6Si10O23","formula_anonymous":"A6B10C23","energy_above_hull":2.628622474358974,"spacegroup":189},{"id":"jvasp-87958","created_at":"2022-09-04T14:35:59.720984Z","updated_at":"2022-09-04T14:35:59.721022Z","structure_string":"Rb6 Si10 O23\n1.0\n8.075858 0.000000 0.000000\n0.000000 8.138226 -4.670113\n0.000000 0.009386 9.442325\nRb Si O\n6 10 23\ndirect\n0.000000 0.757603 0.000000 Rb\n0.500000 0.990233 0.763292 Rb\n0.500000 0.226941 0.236709 Rb\n0.500000 0.749260 0.000000 Rb\n0.000000 0.243281 0.243487 Rb\n0.000000 -0.000205 0.756513 Rb\n0.200982 0.401224 0.000000 Si\n0.799018 0.401224 0.000000 Si\n0.190926 0.588983 0.610467 Si\n0.809074 0.978517 0.389533 Si\n0.190926 0.978517 0.389533 Si\n0.311939 0.308281 0.652232 Si\n0.688061 0.656049 0.347768 Si\n0.688061 0.308281 0.652232 Si\n0.311939 0.656049 0.347768 Si\n0.809074 0.588983 0.610467 Si\n0.500000 0.606745 0.374301 O\n0.751442 0.237389 0.000000 O\n0.248558 0.237389 0.000000 O\n0.186666 0.152123 0.569789 O\n0.000000 0.534153 0.629195 O\n0.813334 0.582334 0.430211 O\n0.813334 0.152123 0.569789 O\n0.186666 0.582334 0.430211 O\n0.302518 0.855423 0.433382 O\n0.697482 0.422041 0.566618 O\n0.697482 0.855423 0.433382 O\n0.302518 0.422041 0.566618 O\n0.000000 0.904959 0.370806 O\n0.250181 0.997135 0.239629 O\n0.749819 0.997135 0.239629 O\n0.250181 0.757506 0.760372 O\n0.272965 0.576766 0.154209 O\n0.727035 0.422557 0.845791 O\n0.727035 0.576766 0.154209 O\n0.272965 0.422557 0.845791 O\n0.000000 0.433146 0.000000 O\n0.749819 0.757506 0.760372 O\n0.500000 0.232443 0.625699 O\n","nsites":39,"nelements":3,"elements":["Rb","Si","O"],"chemical_system":"O-Rb-Si","density":3.1065519430027466,"density_atomic":0.0628086675424644,"volume":620.9334081738389,"volume_molar":9.58807278617793,"formula_full":"Rb6 Si10 O23","formula_reduced":"Rb6Si10O23","formula_anonymous":"A6B10C23","energy_above_hull":2.627995807692307,"spacegroup":38},{"id":"jvasp-97443","created_at":"2022-09-04T14:36:00.119400Z","updated_at":"2022-09-04T14:36:00.119429Z","structure_string":"K6 Al6 B6 O21\n1.0\n8.601791 -0.000000 0.000000\n-4.300895 7.449369 -0.000000\n0.000000 -0.000000 8.403165\nK Al B O\n6 6 6 21\ndirect\n0.353923 0.000000 0.500000 K\n-0.000000 0.315251 0.000000 K\n0.315251 0.000000 0.000000 K\n0.646076 0.646077 0.500000 K\n0.684748 0.684749 0.000000 K\n-0.000000 0.353923 0.500000 K\n0.000000 0.000000 0.704846 Al\n0.666667 0.333333 0.225009 Al\n0.333333 0.666667 0.774990 Al\n0.000000 0.000000 0.295154 Al\n0.333333 0.666667 0.186564 Al\n0.666667 0.333333 0.813435 Al\n0.664822 0.998898 0.742084 B\n0.665925 0.001102 0.257916 B\n0.998898 0.664823 0.257916 B\n0.334075 0.335177 0.742084 B\n0.335177 0.334075 0.257916 B\n0.001101 0.665925 0.742084 B\n0.483119 0.884845 0.256475 O\n0.000000 0.000000 0.500000 O\n0.666667 0.333333 0.019228 O\n0.550710 0.820530 0.704225 O\n0.783866 0.940981 0.222482 O\n0.059019 0.842886 0.222482 O\n0.516880 0.401725 0.743525 O\n0.940980 0.783867 0.777517 O\n0.179469 0.730181 0.704225 O\n0.269819 0.449289 0.704225 O\n0.115155 0.598275 0.256475 O\n0.333333 0.666667 0.980771 O\n0.401725 0.516881 0.256475 O\n0.884844 0.483119 0.743525 O\n0.216133 0.157114 0.777517 O\n0.449289 0.269819 0.295775 O\n0.157114 0.216133 0.222482 O\n0.842886 0.059019 0.777517 O\n0.730180 0.179470 0.295775 O\n0.820530 0.550711 0.295775 O\n0.598275 0.115155 0.743525 O\n","nsites":39,"nelements":4,"elements":["K","Al","B","O"],"chemical_system":"Al-B-K-O","density":2.4588795906176077,"density_atomic":0.07242914229611001,"volume":538.4572944486545,"volume_molar":8.31452723184247,"formula_full":"K6 Al6 B6 O21","formula_reduced":"K2Al2B2O7","formula_anonymous":"A2B2C2D7","energy_above_hull":2.3673085589743588,"spacegroup":150},{"id":"jvasp-112045","created_at":"2022-09-04T14:38:42.778155Z","updated_at":"2022-09-04T14:38:42.778174Z","structure_string":"Ti1 H22 C12 O4\n1.0\n4.739351 -0.053845 1.072321\n0.348524 7.181407 1.554908\n-0.115067 -0.376335 9.645480\nTi H C O\n1 22 12 4\ndirect\n0.223274 0.286258 0.837093 Ti\n0.909471 0.358577 0.182126 H\n0.667930 0.183535 0.249230 H\n0.011826 0.074166 0.468140 H\n0.506259 0.441210 0.386507 H\n0.565870 0.989907 0.927343 H\n0.525155 0.676399 0.088682 H\n0.348268 0.749096 0.248009 H\n0.064910 0.628913 0.913304 H\n0.807887 0.884063 0.162265 H\n0.984039 0.666233 0.167837 H\n0.266237 0.425764 0.275875 H\n0.010597 0.820765 0.374215 H\n0.117250 0.623013 0.723793 H\n0.679009 0.192369 0.458812 H\n0.260567 0.009651 0.066124 H\n0.764571 0.823803 0.651587 H\n0.443522 -0.042597 0.661159 H\n0.403489 0.737976 0.512314 H\n0.470203 0.948609 0.395827 H\n0.414826 0.636879 0.806511 H\n0.860909 0.605236 0.433719 H\n0.228493 0.926032 0.906638 H\n0.688141 0.327101 0.192797 C\n0.822105 0.745917 0.377193 C\n0.483185 0.460585 0.273692 C\n0.527844 0.662323 0.203836 C\n0.798140 0.741500 0.221315 C\n0.566963 0.838571 0.466464 C\n0.636480 0.319024 0.044970 C\n0.800343 0.102571 0.529646 C\n0.824502 0.211846 0.644588 C\n0.207212 0.580251 0.821450 C\n0.337653 0.022719 0.949891 C\n0.639148 0.923929 0.588254 C\n0.068318 0.223641 0.672194 O\n0.854619 0.275816 0.950939 O\n0.394086 0.342742 0.018584 O\n0.602449 0.291879 0.707312 O\n","nsites":39,"nelements":4,"elements":["Ti","H","C","O"],"chemical_system":"C-H-O-Ti","density":1.3913096221425867,"density_atomic":0.11747153125015883,"volume":331.99533184724083,"volume_molar":5.126468256530757,"formula_full":"Ti1 H22 C12 O4","formula_reduced":"TiH22(C3O)4","formula_anonymous":"AB4C12D22","energy_above_hull":4.727346982905984,"spacegroup":1},{"id":"jvasp-101874","created_at":"2022-09-04T14:36:50.075867Z","updated_at":"2022-09-04T14:36:50.075875Z","structure_string":"Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n","nsites":39,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":1.6960801047400422,"density_atomic":0.11413613252347561,"volume":341.6972271421449,"volume_molar":5.276278972183819,"formula_full":"Sn1 H22 C12 O4","formula_reduced":"SnH22(C3O)4","formula_anonymous":"AB4C12D22","energy_above_hull":4.615010915384615,"spacegroup":1},{"id":"jvasp-98390","created_at":"2022-09-04T14:36:21.006200Z","updated_at":"2022-09-04T14:36:21.006224Z","structure_string":"Rb6 Si10 O23\n1.0\n8.104686 0.000000 0.000000\n0.000000 8.085766 -4.658753\n0.000000 0.078873 9.483127\nRb Si O\n6 10 23\ndirect\n0.500000 0.260094 0.243420 Rb\n0.500000 0.772073 0.000000 Rb\n0.500000 0.016674 0.756581 Rb\n0.000000 0.769594 0.000000 Rb\n0.000000 0.253913 0.238708 Rb\n0.000000 0.015205 0.761292 Rb\n0.812321 0.702547 0.341066 Si\n0.690156 0.030883 0.406296 Si\n0.690156 0.624587 0.593704 Si\n0.701087 0.414490 0.000000 Si\n0.187680 0.361481 0.658935 Si\n0.309844 0.624587 0.593704 Si\n0.309844 0.030883 0.406296 Si\n0.812321 0.361481 0.658935 Si\n0.298914 0.414490 0.000000 Si\n0.187680 0.702547 0.341066 Si\n0.771471 0.439113 0.849128 O\n0.500000 0.640610 0.539878 O\n0.746370 0.009357 0.237194 O\n0.307188 0.436714 0.574023 O\n0.000000 0.774011 0.358872 O\n0.746370 0.772163 0.762806 O\n0.253631 0.772163 0.762806 O\n0.751480 0.250894 0.000000 O\n0.692813 0.436714 0.574023 O\n0.500000 0.443521 0.000000 O\n0.800057 0.161849 0.567636 O\n0.199943 0.594213 0.432364 O\n0.228529 0.439113 0.849128 O\n0.307188 0.862692 0.425978 O\n0.253631 0.009357 0.237194 O\n0.248521 0.250894 0.000000 O\n0.199943 0.161849 0.567636 O\n0.000000 0.415139 0.641129 O\n0.228529 0.589986 0.150873 O\n0.771471 0.589986 0.150873 O\n0.692813 0.862692 0.425978 O\n0.500000 0.100732 0.460123 O\n0.800057 0.594213 0.432364 O\n","nsites":39,"nelements":3,"elements":["Rb","Si","O"],"chemical_system":"O-Rb-Si","density":3.0891465236662303,"density_atomic":0.06245676253118437,"volume":624.4319817334028,"volume_molar":9.642095612934105,"formula_full":"Rb6 Si10 O23","formula_reduced":"Rb6Si10O23","formula_anonymous":"A6B10C23","energy_above_hull":2.627951448717948,"spacegroup":38}]}