{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4332","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4330","results":[{"id":"jvasp-92544","created_at":"2022-09-04T14:36:31.628067Z","updated_at":"2022-09-04T14:36:31.628084Z","structure_string":"Sr1 Tc1 O3\n1.0\n-2.797001 -2.797001 -0.000000\n-2.797001 2.797001 0.000000\n0.000000 0.000000 -3.956156\nSr Tc O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Tc","O"],"chemical_system":"O-Sr-Tc","density":6.2671072004437125,"density_atomic":0.08077581655051745,"volume":61.89971471068923,"volume_molar":7.455375899832266,"formula_full":"Sr1 Tc1 O3","formula_reduced":"SrTcO3","formula_anonymous":"ABC3","energy_above_hull":2.115451662,"spacegroup":221},{"id":"jvasp-92545","created_at":"2022-09-04T14:36:33.627140Z","updated_at":"2022-09-04T14:36:33.627166Z","structure_string":"Tm1 Au4\n1.0\n0.000000 0.000000 4.178229\n-3.372850 3.372850 2.089115\n-3.372850 -3.372850 2.089115\nTm Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.600478 0.599874 0.199169 Au\n0.399520 0.400125 0.800831 Au\n0.200352 0.199169 0.400125 Au\n0.799646 0.800831 0.599874 Au\n","nsites":5,"nelements":2,"elements":["Tm","Au"],"chemical_system":"Au-Tm","density":16.712991615216573,"density_atomic":0.05259612089197651,"volume":95.06404493725212,"volume_molar":11.449781196541954,"formula_full":"Tm1 Au4","formula_reduced":"TmAu4","formula_anonymous":"AB4","energy_above_hull":0.522920906,"spacegroup":87},{"id":"jvasp-92546","created_at":"2022-09-04T14:36:32.339224Z","updated_at":"2022-09-04T14:36:32.339234Z","structure_string":"Ce1 Si3 Os1\n1.0\n4.235808 0.000000 -0.000000\n0.000000 4.235808 -0.000000\n-2.117904 -2.117904 5.012729\nCe Si Os\n1 3 1\ndirect\n0.996842 0.996842 0.993681 Ce\n0.423050 0.423050 0.846098 Si\n0.765904 0.265904 0.531807 Si\n0.265904 0.765904 0.531807 Si\n0.657304 0.657304 0.314606 Os\n","nsites":5,"nelements":3,"elements":["Ce","Si","Os"],"chemical_system":"Ce-Os-Si","density":7.654807173817823,"density_atomic":0.05559340127871795,"volume":89.93873166587633,"volume_molar":10.832474037355531,"formula_full":"Ce1 Si3 Os1","formula_reduced":"CeSi3Os","formula_anonymous":"ABC3","energy_above_hull":3.61900926,"spacegroup":107},{"id":"jvasp-92547","created_at":"2022-09-04T14:36:32.917164Z","updated_at":"2022-09-04T14:36:32.917182Z","structure_string":"La1 Ge3 Ru1\n1.0\n4.472795 -0.000000 0.000000\n-0.000000 4.472795 0.000000\n-2.236399 -2.236399 5.093955\nLa Ge Ru\n1 3 1\ndirect\n0.999292 0.999292 0.998584 La\n0.425074 0.425074 0.850148 Ge\n0.758813 0.258812 0.517624 Ge\n0.258812 0.758813 0.517624 Ge\n0.659009 0.659009 0.318017 Ru\n","nsites":5,"nelements":3,"elements":["La","Ge","Ru"],"chemical_system":"Ge-La-Ru","density":7.461091273832724,"density_atomic":0.049063317758696996,"volume":101.9091294353753,"volume_molar":12.274222443777788,"formula_full":"La1 Ge3 Ru1","formula_reduced":"LaGe3Ru","formula_anonymous":"ABC3","energy_above_hull":1.74888267,"spacegroup":107},{"id":"jvasp-92548","created_at":"2022-09-04T14:36:32.792526Z","updated_at":"2022-09-04T14:36:32.792561Z","structure_string":"Sn1 C1 Cl3\n1.0\n5.230529 0.000000 0.000000\n0.000000 5.230529 -0.000000\n-0.000000 0.000000 5.230529\nSn C Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n","nsites":5,"nelements":3,"elements":["Sn","C","Cl"],"chemical_system":"C-Cl-Sn","density":2.751101562138962,"density_atomic":0.03494082550716509,"volume":143.0990804431533,"volume_molar":17.235256101104646,"formula_full":"Sn1 C1 Cl3","formula_reduced":"SnCCl3","formula_anonymous":"ABC3","energy_above_hull":1.6025047805,"spacegroup":221},{"id":"jvasp-9255","created_at":"2022-09-04T14:38:14.572529Z","updated_at":"2022-09-04T14:38:14.572556Z","structure_string":"Ca4 Cu4 O8\n1.0\n-3.032787 -0.014005 0.014934\n1.477514 8.137891 -0.055392\n-0.039205 -0.764053 -8.541304\nCa Cu O\n4 4 8\ndirect\n0.710415 0.926899 0.335406 Ca\n0.293565 0.093187 0.692788 Ca\n0.846621 0.199435 0.060601 Ca\n0.157351 0.820646 0.967595 Ca\n0.619356 0.744846 0.625713 Cu\n0.025978 0.557379 0.198904 Cu\n0.977968 0.462699 0.829314 Cu\n0.384644 0.275248 0.402508 Cu\n0.838897 0.183750 0.507634 O\n0.552475 0.611719 0.793313 O\n0.451476 0.408361 0.234889 O\n0.165092 0.836350 0.520569 O\n0.739439 0.984918 0.854133 O\n0.596491 0.698495 0.151675 O\n0.264533 0.035159 0.174053 O\n0.407457 0.321582 0.876524 O\n","nsites":16,"nelements":3,"elements":["Ca","Cu","O"],"chemical_system":"Ca-Cu-O","density":4.274531483425151,"density_atomic":0.07592183699240451,"volume":210.74305672557284,"volume_molar":7.932027198712904,"formula_full":"Ca4 Cu4 O8","formula_reduced":"CaCuO2","formula_anonymous":"ABC2","energy_above_hull":0.5154544674999999,"spacegroup":12},{"id":"jvasp-92550","created_at":"2022-09-04T14:36:33.177210Z","updated_at":"2022-09-04T14:36:33.177253Z","structure_string":"Sc1 Au4\n1.0\n-0.000000 0.000000 4.082200\n-3.323006 3.323006 2.041099\n-3.323006 -3.323006 2.041099\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.602297 0.601286 0.194122 Au\n0.397703 0.398715 0.805880 Au\n0.203581 0.194122 0.398715 Au\n0.796418 0.805880 0.601286 Au\n","nsites":5,"nelements":2,"elements":["Sc","Au"],"chemical_system":"Au-Sc","density":15.33962912856351,"density_atomic":0.05546046153751685,"volume":90.15431645150832,"volume_molar":10.858439675851336,"formula_full":"Sc1 Au4","formula_reduced":"ScAu4","formula_anonymous":"AB4","energy_above_hull":0.8024531059999999,"spacegroup":87},{"id":"jvasp-92551","created_at":"2022-09-04T14:36:33.498928Z","updated_at":"2022-09-04T14:36:33.498954Z","structure_string":"Ba1 Ge3 Pd1\n1.0\n4.634987 -0.000000 -0.000000\n-0.000000 4.634987 -0.000000\n-2.317493 -2.317493 5.223424\nBa Ge Pd\n1 3 1\ndirect\n0.604544 0.604544 0.209087 Ba\n0.856396 0.356395 0.712789 Ge\n0.356395 0.856396 0.712789 Ge\n0.000707 0.000707 0.001413 Ge\n0.250290 0.250290 0.500579 Pd\n","nsites":5,"nelements":3,"elements":["Ba","Ge","Pd"],"chemical_system":"Ba-Ge-Pd","density":6.831650005355268,"density_atomic":0.04455717862606779,"volume":112.2153635884565,"volume_molar":13.515534299285276,"formula_full":"Ba1 Ge3 Pd1","formula_reduced":"BaGe3Pd","formula_anonymous":"ABC3","energy_above_hull":0.696665904,"spacegroup":107},{"id":"jvasp-92552","created_at":"2022-09-04T14:36:33.712817Z","updated_at":"2022-09-04T14:36:33.712847Z","structure_string":"Pr2 Ni2 Sn1\n1.0\n-4.361314 0.000000 0.000000\n-2.180657 -2.919076 4.312604\n-2.180657 2.919076 4.312604\nPr Ni Sn\n2 2 1\ndirect\n0.795881 0.704119 0.704119 Pr\n0.204120 0.295880 0.295880 Pr\n0.500001 0.292468 0.707531 Ni\n0.500001 0.707531 0.292468 Ni\n0.000000 0.000000 0.000000 Sn\n","nsites":5,"nelements":3,"elements":["Pr","Ni","Sn"],"chemical_system":"Ni-Pr-Sn","density":7.83200254979953,"density_atomic":0.04553419567130314,"volume":109.8075836475384,"volume_molar":13.225534504819008,"formula_full":"Pr2 Ni2 Sn1","formula_reduced":"Pr2Ni2Sn","formula_anonymous":"AB2C2","energy_above_hull":1.1423052400000002,"spacegroup":71},{"id":"jvasp-92554","created_at":"2022-09-04T14:35:45.364668Z","updated_at":"2022-09-04T14:35:45.364697Z","structure_string":"Hg1 N2 Cl2\n1.0\n0.000000 0.000000 -3.817756\n-3.645836 -4.104314 0.000000\n-3.645836 4.104314 0.000000\nHg N Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.306273 0.693729 N\n0.000000 0.693729 0.306273 N\n0.500001 0.752902 0.752902 Cl\n0.500001 0.247099 0.247099 Cl\n","nsites":5,"nelements":3,"elements":["Hg","N","Cl"],"chemical_system":"Cl-Hg-N","density":4.352950039079123,"density_atomic":0.04376169473419031,"volume":114.25517293994513,"volume_molar":13.761214680049852,"formula_full":"Hg1 N2 Cl2","formula_reduced":"Hg(NCl)2","formula_anonymous":"AB2C2","energy_above_hull":2.239279847,"spacegroup":65},{"id":"jvasp-92555","created_at":"2022-09-04T14:35:53.904487Z","updated_at":"2022-09-04T14:35:53.904498Z","structure_string":"Y1 Si3 Ir1\n1.0\n4.221726 0.000000 0.000000\n-0.000000 4.221726 0.000000\n-2.110863 -2.110863 4.911301\nY Si Ir\n1 3 1\ndirect\n0.998097 0.998097 0.996190 Y\n0.414545 0.414545 0.829089 Si\n0.764410 0.264409 0.528816 Si\n0.264409 0.764410 0.528816 Si\n0.652545 0.652545 0.305088 Ir\n","nsites":5,"nelements":3,"elements":["Y","Si","Ir"],"chemical_system":"Ir-Si-Y","density":6.931328121829444,"density_atomic":0.057120679668717304,"volume":87.5339724421784,"volume_molar":10.542838066575188,"formula_full":"Y1 Si3 Ir1","formula_reduced":"YSi3Ir","formula_anonymous":"ABC3","energy_above_hull":3.46122647,"spacegroup":107},{"id":"jvasp-92556","created_at":"2022-09-04T14:35:59.728230Z","updated_at":"2022-09-04T14:35:59.728255Z","structure_string":"Tb1 Si3 Ir1\n1.0\n4.225726 0.000000 -0.000000\n-0.000000 4.225726 0.000000\n-2.112863 -2.112863 4.906717\nTb Si Ir\n1 3 1\ndirect\n0.998421 0.998421 0.996839 Tb\n0.414124 0.414124 0.828247 Si\n0.764435 0.264435 0.528868 Si\n0.264435 0.764435 0.528868 Si\n0.652590 0.652590 0.305179 Ir\n","nsites":5,"nelements":3,"elements":["Tb","Si","Ir"],"chemical_system":"Ir-Si-Tb","density":8.251686078770366,"density_atomic":0.05706585477988787,"volume":87.61806897111767,"volume_molar":10.552966889269177,"formula_full":"Tb1 Si3 Ir1","formula_reduced":"TbSi3Ir","formula_anonymous":"ABC3","energy_above_hull":3.146483059999999,"spacegroup":107}]}