{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3377","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3375","results":[{"id":"jvasp-12311","created_at":"2022-09-04T14:38:14.324908Z","updated_at":"2022-09-04T14:38:14.324942Z","structure_string":"Er2 Fe8 Ge4\n1.0\n4.043827 0.000000 0.000000\n0.000000 6.602072 0.000000\n0.000000 0.000000 7.575026\nEr Fe Ge\n2 8 4\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.000000 0.065095 0.350702 Fe\n0.500000 0.565095 0.149299 Fe\n0.000000 0.642313 0.879145 Fe\n0.000000 0.357687 0.120855 Fe\n0.500000 0.142313 0.620855 Fe\n0.500000 0.434905 0.850702 Fe\n0.000000 0.934905 0.649299 Fe\n0.500000 0.857687 0.379145 Fe\n0.000000 0.755542 0.185457 Ge\n0.500000 0.744458 0.685457 Ge\n0.000000 0.244458 0.814544 Ge\n0.500000 0.255542 0.314544 Ge\n","nsites":14,"nelements":3,"elements":["Er","Fe","Ge"],"chemical_system":"Er-Fe-Ge","density":8.80078265562528,"density_atomic":0.0692262942311437,"volume":202.23529448585805,"volume_molar":8.699210071670636,"formula_full":"Er2 Fe8 Ge4","formula_reduced":"Er(Fe2Ge)2","formula_anonymous":"AB2C4","energy_above_hull":2.677240557142857,"spacegroup":58},{"id":"jvasp-12310","created_at":"2022-09-04T14:38:16.589744Z","updated_at":"2022-09-04T14:38:16.589765Z","structure_string":"Mn2 Cu4 Ge2 S8\n1.0\n6.263303 0.000000 0.000000\n0.000000 6.508359 0.000000\n0.000000 0.000000 7.594488\nMn Cu Ge S\n2 4 2 8\ndirect\n0.503735 0.839284 0.000000 Mn\n0.003735 0.160716 0.500000 Mn\n0.009695 0.673249 0.750227 Cu\n0.009695 0.673249 0.249773 Cu\n0.509695 0.326752 0.250227 Cu\n0.509695 0.326752 0.749774 Cu\n0.502295 0.828707 0.500000 Ge\n0.002295 0.171293 0.000000 Ge\n0.376966 0.660699 0.742606 S\n0.876966 0.339301 0.757395 S\n0.876966 0.339301 0.242606 S\n0.376966 0.660699 0.257394 S\n0.367022 0.180742 0.000000 S\n0.885033 0.840244 0.000000 S\n0.867022 0.819258 0.500000 S\n0.385033 0.159756 0.500000 S\n","nsites":16,"nelements":4,"elements":["Mn","Cu","Ge","S"],"chemical_system":"Cu-Ge-Mn-S","density":4.10794966075073,"density_atomic":0.051682862545996966,"volume":309.580375617938,"volume_molar":11.65210374065559,"formula_full":"Mn2 Cu4 Ge2 S8","formula_reduced":"MnCu2GeS4","formula_anonymous":"ABC2D4","energy_above_hull":1.659284261422414,"spacegroup":31},{"id":"jvasp-1231","created_at":"2022-09-04T14:37:16.446664Z","updated_at":"2022-09-04T14:37:16.446686Z","structure_string":"Ba1 Ti1 O3\n1.0\n4.051447 0.001750 0.010947\n0.010922 4.051433 0.010947\n0.001754 0.001750 4.051461\nBa Ti O\n1 1 3\ndirect\n0.999306 0.999306 0.999308 Ba\n0.486016 0.486016 0.486017 Ti\n0.020290 0.511644 0.511644 O\n0.511644 0.511644 0.020291 O\n0.511644 0.020291 0.511644 O\n","nsites":5,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.8228305291613704,"density_atomic":0.07518670238617134,"volume":66.50112109345045,"volume_molar":8.009582238451273,"formula_full":"Ba1 Ti1 O3","formula_reduced":"BaTiO3","formula_anonymous":"ABC3","energy_above_hull":1.6323609606666667,"spacegroup":160},{"id":"jvasp-12309","created_at":"2022-09-04T14:38:15.177145Z","updated_at":"2022-09-04T14:38:15.177170Z","structure_string":"Sn7 Ir5\n1.0\n5.783441 0.000000 3.099396\n2.891721 6.143100 1.549698\n-0.010001 0.000000 6.964280\nSn Ir\n7 5\ndirect\n0.725396 -0.000000 0.570874 Sn\n0.296269 0.429126 0.000000 Sn\n0.725395 0.570874 0.000001 Sn\n0.296269 -0.000000 0.429127 Sn\n0.414651 0.500000 0.500000 Sn\n0.902523 -0.000000 0.000001 Sn\n0.914651 0.500000 0.500001 Sn\n0.933230 0.243902 0.243903 Ir\n0.177132 0.756098 0.243902 Ir\n0.177132 0.243902 0.756098 Ir\n0.421033 0.756098 0.756098 Ir\n0.502317 -0.000000 0.000000 Ir\n","nsites":12,"nelements":2,"elements":["Sn","Ir"],"chemical_system":"Ir-Sn","density":12.01755766592307,"density_atomic":0.04846151968368101,"volume":247.6191435664139,"volume_molar":12.426644478563276,"formula_full":"Sn7 Ir5","formula_reduced":"Sn7Ir5","formula_anonymous":"A5B7","energy_above_hull":2.6295464500000003,"spacegroup":107},{"id":"jvasp-12308","created_at":"2022-09-04T14:38:15.128761Z","updated_at":"2022-09-04T14:38:15.128794Z","structure_string":"Ba2 Pb2 O6\n1.0\n5.288255 0.007132 3.045764\n3.490653 5.039734 0.042154\n-0.009239 0.013625 6.130667\nBa Pb O\n2 2 6\ndirect\n0.994354 0.255636 0.255637 Ba\n0.005645 0.744363 0.744363 Ba\n0.499999 0.000000 0.500000 Pb\n0.500000 0.499999 -0.000000 Pb\n0.429829 0.820083 0.820083 O\n0.570169 0.179917 0.179917 O\n-0.000000 0.710016 0.289983 O\n-0.000001 0.289984 0.710017 O\n0.499999 0.710093 0.289906 O\n0.499999 0.289907 0.710094 O\n","nsites":10,"nelements":3,"elements":["Ba","Pb","O"],"chemical_system":"Ba-O-Pb","density":7.972064838576183,"density_atomic":0.06115390377782536,"volume":163.52185849541854,"volume_molar":9.847516491962125,"formula_full":"Ba2 Pb2 O6","formula_reduced":"BaPbO3","formula_anonymous":"ABC3","energy_above_hull":1.1628294579999998,"spacegroup":74},{"id":"jvasp-12306","created_at":"2022-09-04T14:37:26.904657Z","updated_at":"2022-09-04T14:37:26.904684Z","structure_string":"U7 Te12\n1.0\n6.217214 -10.768531 0.000000\n6.217214 10.768530 0.000000\n0.000000 0.000000 4.200920\nU Te\n7 12\ndirect\n0.844887 0.567692 0.000000 U\n0.432307 0.277194 0.000000 U\n0.722805 0.155112 0.000000 U\n0.291004 0.839819 0.500000 U\n0.160181 0.451185 0.500000 U\n0.548815 0.708995 0.500000 U\n0.000000 0.000000 0.000000 U\n0.996987 0.785810 0.500000 Te\n0.214190 0.211176 0.500000 Te\n0.788824 0.003012 0.500000 Te\n0.614812 0.475775 0.500000 Te\n0.491472 0.863886 0.000000 Te\n0.744197 0.751888 0.000000 Te\n0.136113 0.627586 0.000000 Te\n0.860962 0.385187 0.500000 Te\n0.007691 0.255802 0.000000 Te\n0.248111 0.992309 0.000000 Te\n0.372413 0.508527 0.000000 Te\n0.524224 0.139037 0.500000 Te\n","nsites":19,"nelements":2,"elements":["U","Te"],"chemical_system":"Te-U","density":9.438863909731598,"density_atomic":0.033777455881228054,"volume":562.5053605816215,"volume_molar":17.82887610356358,"formula_full":"U7 Te12","formula_reduced":"U7Te12","formula_anonymous":"A7B12","energy_above_hull":3.4652623789473687,"spacegroup":174},{"id":"jvasp-12305","created_at":"2022-09-04T14:37:39.179268Z","updated_at":"2022-09-04T14:37:39.179293Z","structure_string":"Lu6 U1 O12\n1.0\n6.329618 -0.007161 -1.025466\n-1.203849 6.214086 -1.025467\n-0.005913 -0.007160 6.412146\nLu U O\n6 1 12\ndirect\n0.609165 0.145437 0.326182 Lu\n0.326182 0.609165 0.145436 Lu\n0.854564 0.673818 0.390835 Lu\n0.390836 0.854564 0.673818 Lu\n0.673818 0.390836 0.854564 Lu\n0.145437 0.326183 0.609165 Lu\n0.000000 0.000000 0.000000 U\n0.914205 0.685673 0.050113 O\n0.685673 0.050114 0.914205 O\n0.422934 0.177826 0.584805 O\n0.314328 0.949887 0.085795 O\n0.050114 0.914205 0.685673 O\n0.415196 0.577067 0.822175 O\n0.822175 0.415196 0.577067 O\n0.577067 0.822175 0.415195 O\n0.584805 0.422934 0.177825 O\n0.177826 0.584805 0.422933 O\n0.085796 0.314328 0.949887 O\n0.949887 0.085796 0.314327 O\n","nsites":19,"nelements":3,"elements":["Lu","U","O"],"chemical_system":"Lu-O-U","density":9.748917249574607,"density_atomic":0.07537909276649997,"volume":252.05928199289755,"volume_molar":7.989139347504013,"formula_full":"Lu6 U1 O12","formula_reduced":"Lu6UO12","formula_anonymous":"AB6C12","energy_above_hull":2.644350657894736,"spacegroup":148},{"id":"jvasp-12304","created_at":"2022-09-04T14:37:39.124715Z","updated_at":"2022-09-04T14:37:39.124735Z","structure_string":"Sr2 In4 Te8\n1.0\n6.907971 0.176095 0.000000\n-3.277498 6.083509 0.000000\n0.000000 0.000000 11.903866\nSr In Te\n2 4 8\ndirect\n0.500000 0.500000 0.750000 Sr\n0.500000 0.500000 0.250000 Sr\n0.228851 0.764804 0.000000 In\n0.771148 0.235195 0.000000 In\n0.764804 0.228851 0.500000 In\n0.235196 0.771148 0.500000 In\n0.658512 0.789294 0.000000 Te\n0.341487 0.210706 0.000000 Te\n0.789294 0.658512 0.500000 Te\n0.210706 0.341487 0.500000 Te\n0.500000 -0.000000 0.685979 Te\n-0.000000 0.500000 0.814021 Te\n0.500000 -0.000000 0.314021 Te\n-0.000000 0.500000 0.185979 Te\n","nsites":14,"nelements":3,"elements":["Sr","In","Te"],"chemical_system":"In-Sr-Te","density":5.420163958470753,"density_atomic":0.02760650948948451,"volume":507.12677042103735,"volume_molar":21.814205675997794,"formula_full":"Sr2 In4 Te8","formula_reduced":"Sr(InTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.2370239023809523,"spacegroup":66},{"id":"jvasp-12303","created_at":"2022-09-04T14:38:14.634066Z","updated_at":"2022-09-04T14:38:14.634093Z","structure_string":"Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n","nsites":16,"nelements":4,"elements":["Rb","Ca","Nb","O"],"chemical_system":"Ca-Nb-O-Rb","density":4.228185966741769,"density_atomic":0.06741333683153636,"volume":237.34175983579416,"volume_molar":8.933159287232918,"formula_full":"Rb1 Ca2 Nb3 O10","formula_reduced":"RbCa2Nb3O10","formula_anonymous":"AB2C3D10","energy_above_hull":2.8437615025,"spacegroup":123},{"id":"jvasp-12302","created_at":"2022-09-04T14:37:38.293593Z","updated_at":"2022-09-04T14:37:38.293603Z","structure_string":"Ba3 In2 O6\n1.0\n4.165384 -0.000000 -0.788972\n-0.149441 4.162702 -0.788972\n-0.014030 -0.014543 11.315998\nBa In O\n3 2 6\ndirect\n0.682764 0.682764 0.365529 Ba\n0.317236 0.317236 0.634472 Ba\n0.500000 0.500000 0.000000 Ba\n0.897963 0.897964 0.795929 In\n0.102036 0.102036 0.204071 In\n0.801721 0.801721 0.603442 O\n0.198280 0.198280 0.396559 O\n0.916231 0.416232 0.832463 O\n0.416231 0.916232 0.832463 O\n0.083769 0.583768 0.167537 O\n0.583768 0.083769 0.167537 O\n","nsites":11,"nelements":3,"elements":["Ba","In","O"],"chemical_system":"Ba-In-O","density":6.245486735901376,"density_atomic":0.05608943692785344,"volume":196.11535794429616,"volume_molar":10.736675370348504,"formula_full":"Ba3 In2 O6","formula_reduced":"Ba3In2O6","formula_anonymous":"A2B3C6","energy_above_hull":1.189018986363636,"spacegroup":139},{"id":"jvasp-123009","created_at":"2022-09-04T14:38:55.090473Z","updated_at":"2022-09-04T14:38:55.090500Z","structure_string":"Zr1 V1\n1.0\n3.293936 -0.000000 -0.000000\n-0.000000 3.293936 -0.000000\n-0.000000 -0.000000 3.293936\nZr V\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500001 0.500001 V\n","nsites":2,"nelements":2,"elements":["Zr","V"],"chemical_system":"V-Zr","density":6.605380561927132,"density_atomic":0.05596087873786494,"volume":35.73925294076441,"volume_molar":10.761340593326361,"formula_full":"Zr1 V1","formula_reduced":"ZrV","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-123008","created_at":"2022-09-04T14:38:55.521805Z","updated_at":"2022-09-04T14:38:55.521828Z","structure_string":"V1 Zn1\n1.0\n3.021520 0.000000 0.000000\n0.000000 3.021520 0.000000\n-0.000000 0.000000 3.021520\nV Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Zn\n","nsites":2,"nelements":2,"elements":["V","Zn"],"chemical_system":"V-Zn","density":7.003916044834241,"density_atomic":0.07250259914274589,"volume":27.58521795973581,"volume_molar":8.306103272440453,"formula_full":"V1 Zn1","formula_reduced":"VZn","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221}]}