{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4619","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4617","results":[{"id":"jvasp-96962","created_at":"2022-09-04T14:36:41.606163Z","updated_at":"2022-09-04T14:36:41.606193Z","structure_string":"Na2 Np2 C2 O10\n1.0\n4.382254 0.000001 0.000027\n0.000002 4.893038 -0.000000\n0.000052 0.000000 10.391503\nNa Np C O\n2 2 2 10\ndirect\n0.785137 0.500000 0.245259 Na\n0.214868 0.000000 0.745260 Na\n0.273846 0.500001 0.502761 Np\n0.726149 -0.000001 0.002763 Np\n0.342899 0.499999 0.999023 C\n0.657101 -0.000000 0.499023 C\n0.214665 0.265496 0.989187 O\n0.785332 0.234504 0.489188 O\n0.744162 -0.000000 0.181386 O\n0.255823 0.500000 0.681382 O\n0.284239 0.500000 0.322836 O\n0.362025 -0.000000 0.520360 O\n0.785331 0.765497 0.489188 O\n0.637977 0.500000 0.020362 O\n0.715765 -0.000000 0.822835 O\n0.214665 0.734504 0.989187 O\n","nsites":16,"nelements":4,"elements":["Na","Np","C","O"],"chemical_system":"C-Na-Np-O","density":5.246433014314892,"density_atomic":0.07180678469231033,"volume":222.82017038584118,"volume_molar":8.386590188941993,"formula_full":"Na2 Np2 C2 O10","formula_reduced":"NaNpCO5","formula_anonymous":"ABCD5","energy_above_hull":3.2681470625000006,"spacegroup":31},{"id":"jvasp-100424","created_at":"2022-09-04T14:36:44.055724Z","updated_at":"2022-09-04T14:36:44.055755Z","structure_string":"Ca1 Bi1 N1 O5\n1.0\n4.282101 0.016253 -6.511296\n-0.285214 3.588135 -6.912133\n0.022894 -0.016253 7.793129\nCa Bi N O\n1 1 1 5\ndirect\n0.827976 0.827974 -0.000001 Ca\n0.183237 0.183237 -0.000000 Bi\n0.503975 0.503974 -0.000001 N\n0.268861 0.768860 0.500000 O\n0.738957 0.238957 0.499999 O\n0.789127 0.546488 0.242637 O\n0.303851 0.546489 0.757361 O\n0.415018 0.415017 -0.000001 O\n","nsites":8,"nelements":4,"elements":["Ca","Bi","N","O"],"chemical_system":"Bi-Ca-N-O","density":4.755289050867842,"density_atomic":0.06677979299656658,"volume":119.79671755513395,"volume_molar":9.017908696287247,"formula_full":"Ca1 Bi1 N1 O5","formula_reduced":"CaBiNO5","formula_anonymous":"ABCD5","energy_above_hull":2.40286318375,"spacegroup":44},{"id":"jvasp-9513","created_at":"2022-09-04T14:36:43.632109Z","updated_at":"2022-09-04T14:36:43.632118Z","structure_string":"V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n","nsites":16,"nelements":4,"elements":["V","Zn","Si","O"],"chemical_system":"O-Si-V-Zn","density":4.2186629908340985,"density_atomic":0.09055845569443027,"volume":176.68145815105885,"volume_molar":6.650003816673286,"formula_full":"V2 Zn2 Si2 O10","formula_reduced":"VZnSiO5","formula_anonymous":"ABCD5","energy_above_hull":2.3168175875,"spacegroup":2},{"id":"jvasp-8411","created_at":"2022-09-04T14:36:43.713674Z","updated_at":"2022-09-04T14:36:43.713695Z","structure_string":"Ba1 Cu1 Re1 O5\n1.0\n3.797372 0.000000 -0.000000\n0.000000 3.797372 0.000000\n0.000000 0.000000 7.772965\nBa Cu Re O\n1 1 1 5\ndirect\n0.000000 0.000000 0.977805 Ba\n0.500000 0.500000 0.697174 Cu\n0.500000 0.500000 0.337678 Re\n0.500000 0.000000 0.346152 O\n0.000000 0.500000 0.346152 O\n0.500000 0.000000 0.738634 O\n0.000000 0.500000 0.738634 O\n0.500000 0.500000 0.093858 O\n","nsites":8,"nelements":4,"elements":["Ba","Cu","Re","O"],"chemical_system":"Ba-Cu-O-Re","density":6.919657196554073,"density_atomic":0.07137349886720395,"volume":112.08642040772912,"volume_molar":8.437502512248518,"formula_full":"Ba1 Cu1 Re1 O5","formula_reduced":"BaCuReO5","formula_anonymous":"ABCD5","energy_above_hull":2.47372274,"spacegroup":99},{"id":"jvasp-119639","created_at":"2022-09-04T14:38:51.841113Z","updated_at":"2022-09-04T14:38:51.841142Z","structure_string":"Li2 Al2 P2 O10\n1.0\n4.911403 0.075074 -1.462992\n-1.309603 4.799401 -1.452666\n0.009067 -0.077657 6.958211\nLi Al P O\n2 2 2 10\ndirect\n0.259282 0.128716 0.745061 Li\n0.740718 0.871283 0.254938 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 -0.000000 Al\n0.325491 0.135457 0.243906 P\n0.674509 0.864541 0.756094 P\n0.143861 0.180502 0.387599 O\n0.856139 0.819496 0.612400 O\n0.072514 0.428155 0.749160 O\n0.927486 0.571843 0.250839 O\n0.642931 0.255055 0.378010 O\n0.357069 0.744943 0.621989 O\n0.242047 0.256890 0.065222 O\n0.757953 0.743109 0.934777 O\n0.308045 0.817287 0.148766 O\n0.691955 0.182711 0.851233 O\n","nsites":16,"nelements":4,"elements":["Li","Al","P","O"],"chemical_system":"Al-Li-O-P","density":2.933059326231326,"density_atomic":0.09752443240898806,"volume":164.06145213848387,"volume_molar":6.175007237924706,"formula_full":"Li2 Al2 P2 O10","formula_reduced":"LiAlPO5","formula_anonymous":"ABCD5","energy_above_hull":2.223860725,"spacegroup":2},{"id":"jvasp-104165","created_at":"2022-09-04T14:36:57.989322Z","updated_at":"2022-09-04T14:36:57.989342Z","structure_string":"H10 C10 S2 N2 O2\n1.0\n5.113303 -0.056994 0.742163\n1.675890 5.934046 0.711094\n0.183766 0.036950 8.575815\nH C S N O\n10 10 2 2 2\ndirect\n0.407465 0.898127 0.700706 H\n0.407464 0.398127 0.200706 H\n0.200321 0.355051 0.497516 H\n0.200321 0.855051 0.997516 H\n0.794401 0.199383 0.646809 H\n0.794401 0.699383 0.146809 H\n0.698725 0.839217 0.806499 H\n0.698725 0.339217 0.306499 H\n0.718458 0.700672 0.487329 H\n0.718458 0.200672 0.987329 H\n0.607356 0.282905 0.216810 C\n0.607357 0.782906 0.716810 C\n0.335456 0.552788 0.870218 C\n0.335455 0.052788 0.370218 C\n0.958886 0.397532 0.020371 C\n0.951586 0.106080 0.561459 C\n0.951586 0.606081 0.061459 C\n0.170439 0.694783 0.976717 C\n0.170439 0.194782 0.476717 C\n0.958886 0.897532 0.520371 C\n0.233653 0.805954 0.373122 S\n0.233654 0.305954 0.873123 S\n0.796909 0.750271 0.574410 N\n0.796909 0.250271 0.074410 N\n0.564082 0.061654 0.267870 O\n0.564083 0.561655 0.767870 O\n","nsites":26,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6235290395179864,"density_atomic":0.09995145280157079,"volume":260.1262840232713,"volume_molar":6.025065760630303,"formula_full":"H10 C10 S2 N2 O2","formula_reduced":"H5C5SNO","formula_anonymous":"ABCD5E5","energy_above_hull":4.957261288461538,"spacegroup":1},{"id":"jvasp-101832","created_at":"2022-09-04T14:36:57.295228Z","updated_at":"2022-09-04T14:36:57.295247Z","structure_string":"H10 C10 S2 N2 O2\n1.0\n5.442117 -0.076457 2.128799\n0.106997 6.253100 2.644387\n0.154999 -0.237552 7.722740\nH C S N O\n10 10 2 2 2\ndirect\n0.880621 0.171396 0.010330 H\n0.880624 0.671396 0.510331 H\n0.707855 0.728881 0.848282 H\n0.707854 0.228881 0.348281 H\n0.420553 0.964787 0.060289 H\n0.420551 0.464788 0.560288 H\n0.013152 0.429325 0.875374 H\n0.013153 0.929326 0.375374 H\n0.724986 0.257489 0.723682 H\n0.724986 0.757485 0.223684 H\n0.949138 0.792868 0.361863 C\n0.949137 0.292868 0.861862 C\n0.422756 0.989903 0.520325 C\n0.422756 0.489904 0.020324 C\n0.156009 0.211618 0.718714 C\n0.530086 0.680441 0.966411 C\n0.530085 0.180441 0.466411 C\n0.374004 0.306518 0.580105 C\n0.374005 0.806518 0.080106 C\n0.156010 0.711618 0.218714 C\n0.135017 0.461253 0.209410 S\n0.135018 0.961252 0.709411 S\n0.740662 0.363886 0.785259 N\n0.740663 0.863884 0.285261 N\n0.502889 0.321177 0.957004 O\n0.502890 0.821176 0.457007 O\n","nsites":26,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.5988667075566507,"density_atomic":0.098433133234129,"volume":264.138701530078,"volume_molar":6.118001695299065,"formula_full":"H10 C10 S2 N2 O2","formula_reduced":"H5C5SNO","formula_anonymous":"ABCD5E5","energy_above_hull":4.964115903846154,"spacegroup":1},{"id":"jvasp-104132","created_at":"2022-09-04T14:36:57.659131Z","updated_at":"2022-09-04T14:36:57.659161Z","structure_string":"H10 C10 S2 N2 O2\n1.0\n3.784185 -0.024744 0.020346\n1.344070 6.869424 2.058200\n-0.083174 -0.095655 9.742997\nH C S N O\n10 10 2 2 2\ndirect\n0.679983 0.206358 0.782035 H\n0.679952 0.706370 0.282033 H\n0.362029 0.648543 0.558886 H\n0.362047 0.148546 0.058889 H\n0.295075 0.924794 0.686558 H\n0.295071 0.424800 0.186559 H\n0.572264 0.313792 0.560737 H\n0.572244 0.813787 0.060734 H\n0.129817 0.079026 0.830730 H\n0.129781 0.579029 0.330727 H\n0.961289 0.223782 0.789809 C\n0.961262 0.723787 0.289806 C\n0.015375 0.346534 0.883514 C\n0.015360 0.846537 0.383512 C\n0.940237 0.608509 0.006151 C\n0.204981 0.793134 0.513113 C\n0.204992 0.293135 0.013115 C\n0.163458 0.441635 0.083739 C\n0.163459 0.941633 0.583738 C\n0.940243 0.108510 0.506152 C\n0.796232 0.086978 0.342709 S\n0.796236 0.586973 0.842708 S\n0.835103 0.291074 0.531670 N\n0.835084 0.791074 0.031668 N\n0.054511 0.320102 0.643047 O\n0.054486 0.820107 0.143044 O\n","nsites":26,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6603786663865274,"density_atomic":0.10222007482868277,"volume":254.35316931214422,"volume_molar":5.891348416730172,"formula_full":"H10 C10 S2 N2 O2","formula_reduced":"H5C5SNO","formula_anonymous":"ABCD5E5","energy_above_hull":4.964055903846154,"spacegroup":1},{"id":"jvasp-104164","created_at":"2022-09-04T14:36:58.407127Z","updated_at":"2022-09-04T14:36:58.407154Z","structure_string":"H5 C6 S1 N1 O1\n1.0\n3.952645 -0.061503 -0.113383\n-2.398073 5.413692 -1.017654\n-0.086849 -0.004689 6.516146\nH C S N O\n5 6 1 1 1\ndirect\n0.863478 0.158449 0.026278 H\n0.469443 0.370324 0.814763 H\n0.136795 0.360977 0.453107 H\n0.515764 0.180471 0.180653 H\n0.227743 0.707873 0.911749 H\n0.288362 0.202096 0.703735 C\n0.106323 0.195409 0.512209 C\n0.881033 0.956148 0.400901 C\n0.201820 0.962362 0.741814 C\n0.597326 0.047782 0.081484 C\n0.644523 0.864915 0.208182 C\n0.898391 0.732467 0.537538 S\n0.312361 0.892979 0.908478 N\n0.464775 0.634599 0.138151 O\n","nsites":14,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6698958076222639,"density_atomic":0.10115959515799951,"volume":138.3951762374457,"volume_molar":5.953108798620751,"formula_full":"H5 C6 S1 N1 O1","formula_reduced":"H5C6SNO","formula_anonymous":"ABCD5E6","energy_above_hull":5.159390482142857,"spacegroup":1},{"id":"jvasp-95239","created_at":"2022-09-04T14:36:19.769643Z","updated_at":"2022-09-04T14:36:19.769671Z","structure_string":"Zr4 H24 N4 O4 F20\n1.0\n10.051389 0.000000 2.288374\n0.000000 7.641161 0.000000\n0.053005 0.000000 6.816414\nZr H N O F\n4 24 4 4 20\ndirect\n0.542438 0.553624 0.734373 Zr\n0.042438 0.946376 0.234374 Zr\n0.457562 0.446376 0.265626 Zr\n0.957563 0.053624 0.765625 Zr\n0.712673 0.879313 0.304032 H\n0.787327 0.379313 0.195967 H\n0.287327 0.120687 0.695966 H\n0.053995 0.650285 0.776787 H\n0.553995 0.849715 0.276787 H\n0.946006 0.349715 0.223212 H\n0.446006 0.150285 0.723212 H\n0.109020 0.444735 0.812470 H\n0.609020 0.055265 0.312470 H\n0.890981 0.555265 0.187528 H\n0.390981 0.944735 0.687528 H\n0.212674 0.620687 0.804032 H\n0.668670 0.957254 0.095529 H\n0.168670 0.542746 0.595529 H\n0.809954 0.444206 0.738125 H\n0.309954 0.055794 0.238126 H\n0.690046 0.944206 0.761872 H\n0.814701 0.650864 0.700154 H\n0.190046 0.555794 0.261873 H\n0.185300 0.349136 0.299845 H\n0.685300 0.150864 0.799844 H\n0.331331 0.042746 0.904470 H\n0.831330 0.457254 0.404470 H\n0.314701 0.849136 0.200155 H\n0.135092 0.566268 0.749617 N\n0.364908 0.066268 0.750382 N\n0.864908 0.433732 0.250382 N\n0.635092 0.933732 0.249617 N\n0.228507 0.459094 0.331644 O\n0.728507 0.040905 0.831644 O\n0.771493 0.540905 0.668354 O\n0.271493 0.959094 0.168355 O\n0.088169 0.899119 0.516176 F\n0.588169 0.600881 0.016176 F\n0.125352 0.201369 0.680849 F\n0.625351 0.298631 0.180849 F\n0.874649 0.798631 0.319150 F\n0.374649 0.701368 0.819150 F\n0.890063 0.307688 0.827315 F\n0.390063 0.192311 0.327315 F\n0.109937 0.692311 0.172684 F\n0.609938 0.807688 0.672683 F\n0.397825 0.707172 0.307023 F\n0.102176 0.207172 0.192976 F\n0.602176 0.292828 0.692975 F\n0.897937 0.067616 0.088351 F\n0.397937 0.432384 0.588350 F\n0.102064 0.932384 0.911648 F\n0.602064 0.567616 0.411648 F\n0.411831 0.399119 0.983822 F\n0.897825 0.792827 0.807023 F\n0.911831 0.100881 0.483822 F\n","nsites":56,"nelements":5,"elements":["Zr","H","N","O","F"],"chemical_system":"F-H-N-O-Zr","density":2.8249945201348217,"density_atomic":0.10715592144395748,"volume":522.602943872663,"volume_molar":5.619979445699208,"formula_full":"Zr4 H24 N4 O4 F20","formula_reduced":"ZrH6NOF5","formula_anonymous":"ABCD5E6","energy_above_hull":2.201429475892857,"spacegroup":14},{"id":"jvasp-52419","created_at":"2022-09-04T14:37:43.580921Z","updated_at":"2022-09-04T14:37:43.580947Z","structure_string":"Fe2 P2 H12 N2 O10\n1.0\n4.780007 0.000000 0.000000\n0.000000 5.684895 0.000000\n0.000000 0.000000 8.871192\nFe P H N O\n2 2 12 2 10\ndirect\n0.509689 0.500000 0.023568 Fe\n0.009689 0.000000 0.976432 Fe\n0.071303 0.500000 0.804816 P\n0.571303 0.000000 0.195184 P\n0.570550 0.138921 0.807161 H\n0.570550 0.861080 0.807161 H\n0.070550 0.638921 0.192839 H\n0.127170 0.150726 0.593504 H\n0.127170 0.849275 0.593504 H\n0.070550 0.361080 0.192839 H\n0.627171 0.650726 0.406496 H\n0.955792 0.000000 0.456046 H\n0.455792 0.500000 0.543954 H\n0.318284 0.000000 0.462937 H\n0.818284 0.500000 0.537062 H\n0.627171 0.349275 0.406496 H\n0.632529 0.500000 0.472495 N\n0.132529 0.000000 0.527505 N\n0.716060 0.218135 0.118967 O\n0.716060 0.781866 0.118967 O\n0.216060 0.281865 0.881033 O\n0.216060 0.718136 0.881033 O\n0.755239 0.500000 0.831224 O\n0.131824 0.500000 0.633262 O\n0.255239 0.000000 0.168776 O\n0.192484 0.500000 0.207771 O\n0.631824 0.000000 0.366738 O\n0.692484 0.000000 0.792229 O\n","nsites":28,"nelements":5,"elements":["Fe","P","H","N","O"],"chemical_system":"Fe-H-N-O-P","density":2.574458862953056,"density_atomic":0.1161515667308132,"volume":241.06433333690055,"volume_molar":5.18472624132277,"formula_full":"Fe2 P2 H12 N2 O10","formula_reduced":"FePH6NO5","formula_anonymous":"ABCD5E6","energy_above_hull":3.3628679821428573,"spacegroup":31},{"id":"jvasp-52438","created_at":"2022-09-04T14:37:27.240536Z","updated_at":"2022-09-04T14:37:27.240565Z","structure_string":"Mn2 P2 H12 N2 O10\n1.0\n4.848584 0.000000 0.000000\n0.000000 5.746654 0.000000\n0.000000 0.000000 8.901829\nMn P H N O\n2 2 12 2 10\ndirect\n0.530861 0.500000 0.025838 Mn\n0.030861 0.000000 0.974162 Mn\n0.092914 0.500000 0.800716 P\n0.592913 0.000000 0.199285 P\n0.580535 0.137195 0.803483 H\n0.580535 0.862804 0.803483 H\n0.080536 0.637195 0.196517 H\n0.137629 0.149145 0.591914 H\n0.137629 0.850854 0.591914 H\n0.080536 0.362805 0.196517 H\n0.637629 0.649145 0.408086 H\n0.964975 0.000000 0.456590 H\n0.464975 0.500000 0.543410 H\n0.324407 0.000000 0.461458 H\n0.824406 0.500000 0.538542 H\n0.637629 0.350854 0.408086 H\n0.641670 0.500000 0.473817 N\n0.141670 0.000000 0.526183 N\n0.738584 0.216357 0.126118 O\n0.738584 0.783643 0.126118 O\n0.238585 0.283643 0.873882 O\n0.238585 0.716356 0.873882 O\n0.783288 0.500000 0.833953 O\n0.141706 0.500000 0.628662 O\n0.283289 0.000000 0.166047 O\n0.202177 0.500000 0.209135 O\n0.641706 0.000000 0.371338 O\n0.702177 0.000000 0.790865 O\n","nsites":28,"nelements":5,"elements":["Mn","P","H","N","O"],"chemical_system":"H-Mn-N-O-P","density":2.489985162470236,"density_atomic":0.11288826813328168,"volume":248.03285995088316,"volume_molar":5.334602841891375,"formula_full":"Mn2 P2 H12 N2 O10","formula_reduced":"MnPH6NO5","formula_anonymous":"ABCD5E6","energy_above_hull":3.4279566779556654,"spacegroup":31}]}