{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3465","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3463","results":[{"id":"jvasp-100741","created_at":"2022-09-04T14:36:36.612929Z","updated_at":"2022-09-04T14:36:36.612959Z","structure_string":"Mo1 Pb1 O3\n1.0\n4.015038 -0.000000 0.000000\n0.000000 4.015038 0.000000\n-0.000000 -0.000000 4.015038\nMo Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Mo","Pb","O"],"chemical_system":"Mo-O-Pb","density":9.008618508277593,"density_atomic":0.07725045114535664,"volume":64.72454109804302,"volume_molar":7.7956059423764,"formula_full":"Mo1 Pb1 O3","formula_reduced":"MoPbO3","formula_anonymous":"ABC3","energy_above_hull":2.518745444,"spacegroup":221},{"id":"jvasp-114329","created_at":"2022-09-04T14:38:40.489532Z","updated_at":"2022-09-04T14:38:40.489548Z","structure_string":"Li1 Mo1 O1\n1.0\n5.463010 -1.630089 0.000000\n-4.102600 3.959215 0.000000\n0.000000 0.000000 2.599085\nLi Mo O\n1 1 1\ndirect\n0.287877 0.045549 0.000000 Li\n0.038017 0.295198 0.000000 Mo\n0.674107 0.659254 0.000000 O\n","nsites":3,"nelements":3,"elements":["Li","Mo","O"],"chemical_system":"Li-Mo-O","density":5.083243951377589,"density_atomic":0.07725077625039947,"volume":38.834561225324734,"volume_molar":7.795573135058122,"formula_full":"Li1 Mo1 O1","formula_reduced":"LiMoO","formula_anonymous":"ABC","energy_above_hull":2.3837531333333333,"spacegroup":38},{"id":"jvasp-10144","created_at":"2022-09-04T14:36:40.205857Z","updated_at":"2022-09-04T14:36:40.205884Z","structure_string":"Nb2 Ga2 O8\n1.0\n3.838277 0.000000 0.000000\n-1.919138 6.022192 -1.964160\n0.000000 0.012255 6.716261\nNb Ga O\n2 2 8\ndirect\n0.101612 0.207039 0.232201 Nb\n0.894573 0.792960 0.767798 Nb\n0.195126 0.394064 0.816105 Ga\n0.801063 0.605934 0.183894 Ga\n0.861319 0.726451 0.482671 O\n0.134867 0.273548 0.517329 O\n0.943219 0.890254 0.132943 O\n0.052964 0.109744 0.867057 O\n0.257000 0.517811 0.145377 O\n0.739189 0.482188 0.854623 O\n0.358992 0.721798 0.797348 O\n0.637194 0.278201 0.202651 O\n","nsites":12,"nelements":3,"elements":["Nb","Ga","O"],"chemical_system":"Ga-Nb-O","density":4.845223846452857,"density_atomic":0.07725104935113526,"volume":155.33769574385272,"volume_molar":7.795545575862785,"formula_full":"Nb2 Ga2 O8","formula_reduced":"NbGaO4","formula_anonymous":"ABC4","energy_above_hull":2.3143242875000007,"spacegroup":12},{"id":"jvasp-68084","created_at":"2022-09-04T14:36:15.552901Z","updated_at":"2022-09-04T14:36:15.552940Z","structure_string":"Be1 Zn2 Tc1\n1.0\n-1.829371 1.829371 3.867945\n1.829371 -1.829371 3.867945\n1.829371 1.829371 -3.867945\nBe Zn Tc\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Zn\n0.749999 0.250000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Be","Zn","Tc"],"chemical_system":"Be-Tc-Zn","density":7.627324155543327,"density_atomic":0.07725313804402412,"volume":51.77783195966132,"volume_molar":7.795334807717678,"formula_full":"Be1 Zn2 Tc1","formula_reduced":"BeZn2Tc","formula_anonymous":"ABC2","energy_above_hull":1.0673020999999998,"spacegroup":119},{"id":"jvasp-70452","created_at":"2022-09-04T14:35:54.438068Z","updated_at":"2022-09-04T14:35:54.438088Z","structure_string":"Be1 Zn1 Tc1\n1.0\n1.343144 -2.326394 0.000000\n1.343144 2.326394 -0.000000\n0.000000 0.000000 6.213579\nBe Zn Tc\n1 1 1\ndirect\n0.000000 0.000000 0.005964 Be\n0.333332 0.666665 0.680906 Zn\n0.666665 0.333332 0.313130 Tc\n","nsites":3,"nelements":3,"elements":["Be","Zn","Tc"],"chemical_system":"Be-Tc-Zn","density":7.373302468686667,"density_atomic":0.07725802276630608,"volume":38.83091868755882,"volume_molar":7.794841939219789,"formula_full":"Be1 Zn1 Tc1","formula_reduced":"BeZnTc","formula_anonymous":"ABC","energy_above_hull":1.7574393333333331,"spacegroup":156},{"id":"jvasp-22563","created_at":"2022-09-04T14:35:45.527374Z","updated_at":"2022-09-04T14:35:45.527383Z","structure_string":"Na2 C1 N2\n1.0\n3.428819 0.009686 0.841715\n-0.173511 3.424440 0.841715\n-0.030449 -0.032122 5.495181\nNa C N\n2 1 2\ndirect\n0.322881 0.322882 0.309138 Na\n0.677119 0.677120 0.690860 Na\n0.000000 0.000000 0.000000 C\n0.160778 0.160779 0.773861 N\n0.839222 0.839223 0.226137 N\n","nsites":5,"nelements":3,"elements":["Na","C","N"],"chemical_system":"C-N-Na","density":2.206708467026888,"density_atomic":0.07725899294389209,"volume":64.71738511568688,"volume_molar":7.794744055715906,"formula_full":"Na2 C1 N2","formula_reduced":"Na2CN2","formula_anonymous":"AB2C2","energy_above_hull":3.0635069,"spacegroup":12},{"id":"jvasp-71909","created_at":"2022-09-04T14:36:06.649751Z","updated_at":"2022-09-04T14:36:06.649772Z","structure_string":"Be1 Cr2 Hg1\n1.0\n-1.744672 1.744672 4.252279\n1.744672 -1.744672 4.252279\n1.744672 1.744672 -4.252279\nBe Cr Hg\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.250000 0.750000 0.499999 Hg\n","nsites":4,"nelements":3,"elements":["Be","Cr","Hg"],"chemical_system":"Be-Cr-Hg","density":10.057916963750646,"density_atomic":0.0772592816781137,"volume":51.77371460254121,"volume_molar":7.794714925114266,"formula_full":"Be1 Cr2 Hg1","formula_reduced":"BeCr2Hg","formula_anonymous":"ABC2","energy_above_hull":2.572833875,"spacegroup":139},{"id":"jvasp-119221","created_at":"2022-09-04T14:38:51.845550Z","updated_at":"2022-09-04T14:38:51.845573Z","structure_string":"Ca1 Hf8 N8 O4\n1.0\n5.287219 0.002168 1.297711\n3.125957 4.475428 -1.227816\n0.015187 -0.026477 11.505823\nCa Hf N O\n1 8 8 4\ndirect\n0.744571 0.377389 0.141993 Ca\n0.256243 0.214266 0.295702 Hf\n0.113365 0.020943 0.774592 Hf\n0.266028 0.553907 0.967801 Hf\n0.658245 0.181695 0.557019 Hf\n0.473346 0.710933 0.466910 Hf\n0.954477 0.817714 0.267046 Hf\n0.557220 0.937279 0.001103 Hf\n0.863359 0.609629 0.706804 Hf\n0.697512 0.110441 0.875569 N\n0.986238 0.182676 0.627672 N\n0.792412 0.921370 0.123158 N\n0.400852 0.777916 0.867324 N\n0.203354 0.361827 0.122792 N\n0.266576 0.602019 0.632826 N\n0.504140 0.024204 0.401841 N\n0.868341 0.237796 0.393745 N\n0.026878 0.467960 0.863377 O\n0.355108 0.783084 0.125507 O\n0.304633 0.582470 0.341590 O\n0.609454 0.864864 0.620892 O\n","nsites":21,"nelements":4,"elements":["Ca","Hf","N","O"],"chemical_system":"Ca-Hf-N-O","density":10.0437428074635,"density_atomic":0.07725933580688375,"volume":271.81181122875915,"volume_molar":7.794709464048268,"formula_full":"Ca1 Hf8 N8 O4","formula_reduced":"CaHf8(N2O)4","formula_anonymous":"AB4C8D8","energy_above_hull":5.585753067619048,"spacegroup":1},{"id":"jvasp-95310","created_at":"2022-09-04T14:36:19.556538Z","updated_at":"2022-09-04T14:36:19.556572Z","structure_string":"Ca4 Nb8 O24\n1.0\n5.274679 0.000000 0.000000\n-0.000000 5.831941 0.000000\n0.000000 0.000000 15.146490\nCa Nb O\n4 8 24\ndirect\n0.750000 0.221783 0.000000 Ca\n0.250000 0.778217 0.000000 Ca\n0.750000 0.721783 0.500000 Ca\n0.250000 0.278217 0.500000 Ca\n0.298711 0.812932 0.335183 Nb\n0.701290 0.187068 0.664817 Nb\n0.201289 0.812932 0.664817 Nb\n0.701290 0.687068 0.835183 Nb\n0.298711 0.312932 0.164817 Nb\n0.798711 0.187068 0.335183 Nb\n0.798711 0.687068 0.164817 Nb\n0.201289 0.312932 0.835183 Nb\n0.093004 0.094925 0.912361 O\n0.007139 0.929595 0.401522 O\n0.507139 0.570405 0.098478 O\n0.492862 0.929595 0.598478 O\n0.992862 0.570405 0.901522 O\n0.593004 0.405075 0.587639 O\n0.876227 0.362871 0.757437 O\n0.406996 0.594925 0.412361 O\n0.376227 0.137129 0.742563 O\n0.623773 0.362871 0.242563 O\n0.123773 0.137129 0.257437 O\n0.123773 0.637129 0.242563 O\n0.623773 0.862870 0.257437 O\n0.376227 0.637129 0.757437 O\n0.406996 0.094925 0.087639 O\n0.876227 0.862870 0.742563 O\n0.492862 0.429595 0.901522 O\n0.507139 0.070405 0.401522 O\n0.007139 0.429595 0.098478 O\n0.593004 0.905075 0.912361 O\n0.093004 0.594925 0.587639 O\n0.906996 0.905075 0.087639 O\n0.992862 0.070405 0.598478 O\n0.906996 0.405075 0.412361 O\n","nsites":36,"nelements":3,"elements":["Ca","Nb","O"],"chemical_system":"Ca-Nb-O","density":4.588720259364143,"density_atomic":0.07726473894682175,"volume":465.9305200626818,"volume_molar":7.7941643783263155,"formula_full":"Ca4 Nb8 O24","formula_reduced":"CaNb2O6","formula_anonymous":"AB2C6","energy_above_hull":2.9558478022222223,"spacegroup":60},{"id":"jvasp-21011","created_at":"2022-09-04T14:38:15.300250Z","updated_at":"2022-09-04T14:38:15.300273Z","structure_string":"Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n","nsites":13,"nelements":3,"elements":["Sr","P","O"],"chemical_system":"O-P-Sr","density":4.468979417110355,"density_atomic":0.07726691601459171,"volume":168.24794712325487,"volume_molar":7.793944770440599,"formula_full":"Sr3 P2 O8","formula_reduced":"Sr3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":1.9866636869230767,"spacegroup":166},{"id":"jvasp-80853","created_at":"2022-09-04T14:37:19.533902Z","updated_at":"2022-09-04T14:37:19.533927Z","structure_string":"Ta1 Fe2 Ge1\n1.0\n-9.822869 2.282015 -1.944721\n-7.044803 0.516105 0.795554\n-5.884307 3.798484 -1.214484\nTa Fe Ge\n1 2 1\ndirect\n0.500000 0.000000 -0.000001 Ta\n0.750476 -0.000303 -0.000305 Fe\n0.249525 0.000303 0.000303 Fe\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Ta","Fe","Ge"],"chemical_system":"Fe-Ge-Ta","density":11.716987344841913,"density_atomic":0.07726867786044002,"volume":51.76741871039466,"volume_molar":7.793767056396358,"formula_full":"Ta1 Fe2 Ge1","formula_reduced":"TaFe2Ge","formula_anonymous":"ABC2","energy_above_hull":3.5368690375,"spacegroup":139},{"id":"jvasp-55464","created_at":"2022-09-04T14:38:32.014013Z","updated_at":"2022-09-04T14:38:32.014048Z","structure_string":"Na4 Mn4 As4 O16\n1.0\n5.215440 -0.000000 0.000000\n-0.000000 6.405857 0.000000\n0.000000 0.000000 10.846305\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491497 0.250000 0.780847 Mn\n0.991497 0.750000 0.719153 Mn\n0.008503 0.250000 0.280847 Mn\n0.508503 0.750000 0.219153 Mn\n0.555988 0.250000 0.103867 As\n0.055988 0.750000 0.396133 As\n0.444012 0.750000 0.896133 As\n0.944012 0.250000 0.603866 As\n0.328975 0.750000 0.045888 O\n0.828975 0.250000 0.454111 O\n0.271647 0.250000 0.610557 O\n0.771647 0.750000 0.889442 O\n0.728353 0.750000 0.389442 O\n0.228353 0.250000 0.110557 O\n0.794756 0.458838 0.677409 O\n0.794756 0.041163 0.677409 O\n0.205244 0.958838 0.322591 O\n0.705244 0.041163 0.177409 O\n0.205244 0.541163 0.322591 O\n0.705244 0.458838 0.177409 O\n0.671025 0.250000 0.954111 O\n0.294756 0.958838 0.822591 O\n0.294756 0.541163 0.822591 O\n0.171025 0.750000 0.545888 O\n","nsites":28,"nelements":4,"elements":["Na","Mn","As","O"],"chemical_system":"As-Mn-Na-O","density":3.9747748193274752,"density_atomic":0.07726948640418206,"volume":362.3681391324034,"volume_molar":7.7936855028378496,"formula_full":"Na4 Mn4 As4 O16","formula_reduced":"NaMnAsO4","formula_anonymous":"ABCD4","energy_above_hull":2.296213141625616,"spacegroup":62}]}