{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3541","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3539","results":[{"id":"jvasp-102134","created_at":"2022-09-04T14:36:42.765525Z","updated_at":"2022-09-04T14:36:42.765550Z","structure_string":"Tm2 Zn1 Pd1\n1.0\n4.251423 -0.000000 2.454560\n1.417141 4.008280 2.454560\n0.000000 -0.000000 4.909120\nTm Zn Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Tm","Zn","Pd"],"chemical_system":"Pd-Tm-Zn","density":10.117320664966982,"density_atomic":0.04781497946726382,"volume":83.65579248525185,"volume_molar":12.594673943388422,"formula_full":"Tm2 Zn1 Pd1","formula_reduced":"Tm2ZnPd","formula_anonymous":"ABC2","energy_above_hull":0.52455615,"spacegroup":225},{"id":"jvasp-110","created_at":"2022-09-04T14:36:42.770502Z","updated_at":"2022-09-04T14:36:42.770528Z","structure_string":"Ba1 Ti1 O3\n1.0\n4.004435 0.000000 0.000000\n0.000000 4.004435 0.000000\n0.000000 0.000000 4.129701\nBa Ti O\n1 1 3\ndirect\n0.500001 0.500001 0.014194 Ba\n0.000000 0.000000 0.532053 Ti\n0.500001 0.000000 0.494264 O\n0.000000 0.500001 0.494264 O\n0.000000 0.000000 0.979223 O\n","nsites":5,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.847389332696934,"density_atomic":0.07550381541962499,"volume":66.22181901949816,"volume_molar":7.975942310373261,"formula_full":"Ba1 Ti1 O3","formula_reduced":"BaTiO3","formula_anonymous":"ABC3","energy_above_hull":1.6327469606666667,"spacegroup":99},{"id":"jvasp-103078","created_at":"2022-09-04T14:36:42.777950Z","updated_at":"2022-09-04T14:36:42.777976Z","structure_string":"Li1 Tb1 Se2\n1.0\n4.078788 0.000000 -0.000000\n0.000000 4.078788 0.000000\n0.000000 -0.000000 5.582020\nTb Li Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Tb","Li","Se"],"chemical_system":"Li-Se-Tb","density":5.789672253065766,"density_atomic":0.04307312062324729,"volume":92.8653401964364,"volume_molar":13.981203759705652,"formula_full":"Li1 Tb1 Se2","formula_reduced":"LiTbSe2","formula_anonymous":"ABC2","energy_above_hull":0.8000612833333335,"spacegroup":123},{"id":"jvasp-15102","created_at":"2022-09-04T14:36:42.779968Z","updated_at":"2022-09-04T14:36:42.779988Z","structure_string":"Li1 Ag2 Sn1\n1.0\n4.083012 -0.000000 2.357328\n1.361004 3.849500 2.357328\n-0.000000 0.000000 4.714656\nLi Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.750000 0.750002 Ag\n0.250000 0.250000 0.250001 Ag\n0.499999 0.500000 0.500001 Sn\n","nsites":4,"nelements":3,"elements":["Li","Ag","Sn"],"chemical_system":"Ag-Li-Sn","density":7.65000281282014,"density_atomic":0.053979020630661144,"volume":74.10286354339526,"volume_molar":11.156446874434966,"formula_full":"Li1 Ag2 Sn1","formula_reduced":"LiAg2Sn","formula_anonymous":"ABC2","energy_above_hull":0.087096555,"spacegroup":225},{"id":"jvasp-51144","created_at":"2022-09-04T14:36:42.789073Z","updated_at":"2022-09-04T14:36:42.789092Z","structure_string":"Sr1 Ni1 Ir2\n1.0\n-0.000000 3.271496 3.271496\n3.271496 0.000000 3.271496\n3.271496 3.271496 -0.000000\nSr Ni Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Ir\n","nsites":4,"nelements":3,"elements":["Sr","Ni","Ir"],"chemical_system":"Ir-Ni-Sr","density":12.58542240153656,"density_atomic":0.05712034406748086,"volume":70.02758938697005,"volume_molar":10.542900009295394,"formula_full":"Sr1 Ni1 Ir2","formula_reduced":"SrNiIr2","formula_anonymous":"ABC2","energy_above_hull":2.5821502275,"spacegroup":225},{"id":"jvasp-15621","created_at":"2022-09-04T14:36:42.805686Z","updated_at":"2022-09-04T14:36:42.805715Z","structure_string":"Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n","nsites":5,"nelements":3,"elements":["Th","Si","Ni"],"chemical_system":"Ni-Si-Th","density":8.338032998566657,"density_atomic":0.061900050454466865,"volume":80.77537842522368,"volume_molar":9.728813976379282,"formula_full":"Th1 Si2 Ni2","formula_reduced":"Th(SiNi)2","formula_anonymous":"AB2C2","energy_above_hull":2.33243352,"spacegroup":139},{"id":"jvasp-79105","created_at":"2022-09-04T14:36:42.817568Z","updated_at":"2022-09-04T14:36:42.817599Z","structure_string":"Y1 Lu1 Cu2\n1.0\n-0.000000 3.420937 3.420937\n3.420937 0.000000 3.420937\n3.420937 3.420937 0.000000\nY Lu Cu\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Y\n0.249999 0.249999 0.249999 Lu\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 Cu\n","nsites":4,"nelements":3,"elements":["Y","Lu","Cu"],"chemical_system":"Cu-Lu-Y","density":8.108146490102856,"density_atomic":0.049956817839735095,"volume":80.06915117836918,"volume_molar":12.05469247324648,"formula_full":"Y1 Lu1 Cu2","formula_reduced":"YLuCu2","formula_anonymous":"ABC2","energy_above_hull":0.7659005249999999,"spacegroup":225},{"id":"jvasp-101155","created_at":"2022-09-04T14:36:42.824544Z","updated_at":"2022-09-04T14:36:42.824576Z","structure_string":"Mn1 V2 Si6\n1.0\n4.524513 -0.000077 0.000000\n-2.300165 3.896211 0.000000\n0.000000 0.000000 6.374802\nMn V Si\n1 2 6\ndirect\n0.499999 0.500000 -0.000000 Mn\n0.499999 -0.000000 0.669716 V\n-0.000001 0.500000 0.330284 V\n0.165215 0.834783 -0.000000 Si\n0.166197 0.329841 0.668233 Si\n0.670157 0.833802 0.331766 Si\n0.834782 0.165216 -0.000000 Si\n0.833801 0.670158 0.668233 Si\n0.329841 0.166197 0.331766 Si\n","nsites":9,"nelements":3,"elements":["Mn","V","Si"],"chemical_system":"Mn-Si-V","density":4.807308190072507,"density_atomic":0.0800877078406899,"volume":112.37679592357367,"volume_molar":7.51943203566172,"formula_full":"Mn1 V2 Si6","formula_reduced":"Mn(VSi3)2","formula_anonymous":"AB2C6","energy_above_hull":4.142886360153257,"spacegroup":21},{"id":"jvasp-104845","created_at":"2022-09-04T14:36:42.839264Z","updated_at":"2022-09-04T14:36:42.839285Z","structure_string":"Er1 Mg1 Pd2\n1.0\n4.091478 -0.000000 2.362216\n1.363826 3.857482 2.362216\n-0.000000 -0.000000 4.724432\nEr Mg Pd\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750000 0.750001 Pd\n","nsites":4,"nelements":3,"elements":["Er","Mg","Pd"],"chemical_system":"Er-Mg-Pd","density":9.005976493684194,"density_atomic":0.05364463076028923,"volume":74.5647783069657,"volume_molar":11.22598976756855,"formula_full":"Er1 Mg1 Pd2","formula_reduced":"ErMgPd2","formula_anonymous":"ABC2","energy_above_hull":0.7406401125000001,"spacegroup":225},{"id":"jvasp-54781","created_at":"2022-09-04T14:36:42.852061Z","updated_at":"2022-09-04T14:36:42.852078Z","structure_string":"Mn4 H4 O8\n1.0\n2.932468 0.000000 0.000000\n-0.000000 4.576425 0.000000\n0.000000 0.000000 10.523034\nMn H O\n4 4 8\ndirect\n0.250000 0.554298 0.639951 Mn\n0.250000 0.945701 0.139951 Mn\n0.750000 0.445701 0.360049 Mn\n0.750000 0.054298 0.860049 Mn\n0.250000 0.902139 0.397703 H\n0.250000 0.597860 0.897703 H\n0.750000 0.097860 0.602297 H\n0.750000 0.402139 0.102297 H\n0.250000 0.198976 0.308849 O\n0.250000 0.301024 0.808849 O\n0.750000 0.801023 0.691150 O\n0.750000 0.698975 0.191151 O\n0.250000 0.695829 0.433626 O\n0.250000 0.804170 0.933626 O\n0.750000 0.304170 0.566374 O\n0.750000 0.195829 0.066374 O\n","nsites":16,"nelements":3,"elements":["Mn","H","O"],"chemical_system":"H-Mn-O","density":4.136362342491076,"density_atomic":0.11329725244971771,"volume":141.22142994686422,"volume_molar":5.315345809178098,"formula_full":"Mn4 H4 O8","formula_reduced":"MnHO2","formula_anonymous":"ABC2","energy_above_hull":2.534446060344828,"spacegroup":62},{"id":"jvasp-101594","created_at":"2022-09-04T14:36:42.853757Z","updated_at":"2022-09-04T14:36:42.853788Z","structure_string":"Nb1 Ga1 Os2\n1.0\n3.833941 0.000000 2.213527\n1.277980 3.614674 2.213527\n-0.000000 0.000000 4.427054\nNb Ga Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500001 Ga\n0.750000 0.749999 0.750001 Os\n0.250000 0.250000 0.250000 Os\n","nsites":4,"nelements":3,"elements":["Nb","Ga","Os"],"chemical_system":"Ga-Nb-Os","density":14.699109589987096,"density_atomic":0.06519745020840498,"volume":61.35209256211583,"volume_molar":9.236773433240263,"formula_full":"Nb1 Ga1 Os2","formula_reduced":"NbGaOs2","formula_anonymous":"ABC2","energy_above_hull":4.18559793125,"spacegroup":225},{"id":"jvasp-21540","created_at":"2022-09-04T14:36:42.865841Z","updated_at":"2022-09-04T14:36:42.865869Z","structure_string":"K8 Sb8 F32\n1.0\n4.489703 0.000000 0.000000\n0.000000 11.692525 0.000000\n0.000000 0.000000 16.195802\nK Sb F\n8 8 32\ndirect\n0.618723 0.000000 0.618488 K\n0.618723 0.000000 0.381511 K\n0.381276 0.500000 0.881511 K\n0.381276 0.500000 0.118488 K\n0.000000 0.250000 0.750000 K\n0.000000 0.750000 0.250000 K\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.067480 0.752268 0.500000 Sb\n0.932520 0.747732 0.000000 Sb\n0.932520 0.252268 0.000000 Sb\n0.067480 0.247732 0.500000 Sb\n0.571019 0.500000 0.654217 Sb\n0.428980 0.000000 0.154217 Sb\n0.428980 0.000000 0.845783 Sb\n0.571019 0.500000 0.345783 Sb\n0.484070 0.620196 0.742047 F\n0.515930 0.879803 0.242047 F\n0.515930 0.120196 0.757953 F\n0.515930 0.120196 0.242047 F\n0.515930 0.879803 0.757953 F\n0.484070 0.620196 0.257953 F\n0.125156 0.132861 0.405327 F\n0.125156 0.867139 0.594672 F\n0.874844 0.632860 0.094673 F\n0.874844 0.367139 0.905327 F\n0.874844 0.367139 0.094673 F\n0.874844 0.632860 0.905327 F\n0.484070 0.379803 0.257953 F\n0.484070 0.379803 0.742047 F\n0.819876 0.350736 0.404189 F\n0.961987 0.500000 0.288412 F\n0.180123 0.850736 0.095811 F\n0.180123 0.149264 0.904189 F\n0.180123 0.149264 0.095811 F\n0.180123 0.850736 0.904189 F\n0.819876 0.649263 0.404189 F\n0.819876 0.350736 0.595811 F\n0.125156 0.867139 0.405327 F\n0.961987 0.500000 0.711588 F\n0.038013 0.000000 0.211588 F\n0.038013 0.000000 0.788412 F\n0.669033 0.170245 0.500000 F\n0.669033 0.829755 0.500000 F\n0.330966 0.670245 0.000000 F\n0.330966 0.329755 0.000000 F\n0.819876 0.649263 0.595811 F\n0.125156 0.132861 0.594672 F\n","nsites":48,"nelements":3,"elements":["K","Sb","F"],"chemical_system":"F-K-Sb","density":3.700731716878609,"density_atomic":0.056456358046540034,"volume":850.2142479759499,"volume_molar":10.666895578059824,"formula_full":"K8 Sb8 F32","formula_reduced":"KSbF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":59}]}