{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3387","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3385","results":[{"id":"jvasp-101972","created_at":"2022-09-04T14:36:30.949834Z","updated_at":"2022-09-04T14:36:30.949844Z","structure_string":"Sn2 H8 C4 Cl4\n1.0\n5.509799 0.002296 0.013955\n2.750153 5.098811 0.867817\n-0.020605 0.004686 9.396726\nSn H C Cl\n2 8 4 4\ndirect\n0.820477 0.000100 0.250021 Sn\n0.179821 0.000083 0.749964 Sn\n0.970547 0.281476 0.485082 H\n0.252596 0.719130 0.015034 H\n0.747701 0.281053 0.984953 H\n0.029742 0.718706 0.514905 H\n0.268526 0.815403 0.432891 H\n0.917428 0.814484 0.933234 H\n0.082865 0.185702 0.066752 H\n0.731771 0.184774 0.567098 H\n0.946622 0.114906 0.539954 C\n0.053671 0.885278 0.460035 C\n0.061819 0.885157 0.960132 C\n0.938476 0.115031 0.039855 C\n0.327229 0.314057 0.794351 Cl\n0.641199 0.686334 0.705467 Cl\n0.359099 0.313846 0.294521 Cl\n0.673071 0.686124 0.205637 Cl\n","nsites":18,"nelements":4,"elements":["Sn","H","C","Cl"],"chemical_system":"C-Cl-H-Sn","density":2.7392181152305315,"density_atomic":0.06820608560792318,"volume":263.9060699579133,"volume_molar":8.829330559472007,"formula_full":"Sn2 H8 C4 Cl4","formula_reduced":"SnH4(CCl)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.985714426111111,"spacegroup":15},{"id":"jvasp-57001","created_at":"2022-09-04T14:36:30.947668Z","updated_at":"2022-09-04T14:36:30.947695Z","structure_string":"Nd6 Se8\n1.0\n7.296139 0.000000 -2.579575\n-3.648070 6.318642 -2.579575\n0.000000 0.000000 7.738724\nNd Se\n6 8\ndirect\n0.125000 0.750000 0.874999 Nd\n0.625000 0.375000 0.249999 Nd\n0.375000 0.250000 0.624999 Nd\n0.750000 0.875000 0.124999 Nd\n0.250000 0.625000 0.374999 Nd\n0.875000 0.125000 0.749999 Nd\n0.649008 0.649008 0.649007 Se\n-0.000000 0.850992 0.499999 Se\n0.850992 0.500000 -0.000001 Se\n-0.000000 0.350992 0.499999 Se\n0.500000 -0.000000 0.850991 Se\n0.500000 -0.000000 0.350992 Se\n0.350992 0.500000 -0.000001 Se\n0.149008 0.149008 0.149007 Se\n","nsites":14,"nelements":2,"elements":["Nd","Se"],"chemical_system":"Nd-Se","density":6.968238128463547,"density_atomic":0.03924115924489723,"volume":356.76825734500966,"volume_molar":15.34649046022537,"formula_full":"Nd6 Se8","formula_reduced":"Nd3Se4","formula_anonymous":"A3B4","energy_above_hull":1.4305254238095235,"spacegroup":220},{"id":"jvasp-76677","created_at":"2022-09-04T14:36:30.945744Z","updated_at":"2022-09-04T14:36:30.945768Z","structure_string":"Mg3 Zn1\n1.0\n3.168908 -0.000000 -0.000000\n-1.584454 2.744356 0.000000\n0.000000 0.000000 9.492456\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.728486 Mg\n0.666668 0.333334 0.271515 Mg\n0.000000 0.000000 0.500000 Zn\n","nsites":4,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":2.782389753488925,"density_atomic":0.048454187994802056,"volume":82.55220375231758,"volume_molar":12.428524776116415,"formula_full":"Mg3 Zn1","formula_reduced":"Mg3Zn","formula_anonymous":"AB3","energy_above_hull":0.155182794117647,"spacegroup":187},{"id":"jvasp-92681","created_at":"2022-09-04T14:36:30.941497Z","updated_at":"2022-09-04T14:36:30.941525Z","structure_string":"Ho2 Al1 Ni2\n1.0\n0.000000 -0.000000 -4.141365\n0.000000 -5.399948 0.000000\n-4.117299 2.699974 2.070683\nHo Al Ni\n2 1 2\ndirect\n0.797206 0.297205 0.594409 Ho\n0.202796 0.702796 0.405591 Ho\n0.000000 0.000000 0.000000 Al\n0.500001 0.731726 0.000000 Ni\n0.500001 0.268274 0.000000 Ni\n","nsites":5,"nelements":3,"elements":["Ho","Al","Ni"],"chemical_system":"Al-Ho-Ni","density":8.55247262846323,"density_atomic":0.054303086016063526,"volume":92.07579839055441,"volume_molar":11.089868369946002,"formula_full":"Ho2 Al1 Ni2","formula_reduced":"Ho2AlNi2","formula_anonymous":"AB2C2","energy_above_hull":1.275137746666667,"spacegroup":71},{"id":"jvasp-15014","created_at":"2022-09-04T14:36:30.938521Z","updated_at":"2022-09-04T14:36:30.938554Z","structure_string":"La1 B6\n1.0\n4.154999 0.000000 0.000000\n0.000000 4.154999 -0.000000\n0.000000 0.000000 4.154999\nLa B\n1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.800216 0.500000 0.500000 B\n0.199785 0.500000 0.500000 B\n0.500000 0.500000 0.800216 B\n0.500000 0.500000 0.199785 B\n0.500000 0.199785 0.500000 B\n0.500000 0.800216 0.500000 B\n","nsites":7,"nelements":2,"elements":["La","B"],"chemical_system":"B-La","density":4.717150201897159,"density_atomic":0.09758549495762511,"volume":71.73197208293747,"volume_molar":6.171143326797712,"formula_full":"La1 B6","formula_reduced":"LaB6","formula_anonymous":"AB6","energy_above_hull":4.602375785714286,"spacegroup":221},{"id":"jvasp-93360","created_at":"2022-09-04T14:36:30.932775Z","updated_at":"2022-09-04T14:36:30.932796Z","structure_string":"Sc2 Al4\n1.0\n-3.795900 -3.795900 0.000000\n-3.795900 -0.000000 -3.795900\n0.000000 -3.795900 -3.795900\nSc Al\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.875000 0.875000 0.875000 Sc\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n","nsites":6,"nelements":2,"elements":["Sc","Al"],"chemical_system":"Al-Sc","density":3.003201547600126,"density_atomic":0.05485004225017242,"volume":109.38915913015799,"volume_molar":10.979281898330845,"formula_full":"Sc2 Al4","formula_reduced":"ScAl2","formula_anonymous":"AB2","energy_above_hull":1.6021069500000005,"spacegroup":227},{"id":"jvasp-99907","created_at":"2022-09-04T14:36:30.931520Z","updated_at":"2022-09-04T14:36:30.931538Z","structure_string":"U2 Al2 Au2\n1.0\n4.894985 0.008196 -2.873921\n-1.200100 4.234277 -3.584832\n0.003631 -0.008196 5.676292\nU Al Au\n2 2 2\ndirect\n0.242620 0.500000 0.742620 U\n0.757379 0.500001 0.257380 U\n0.335726 0.835727 0.500000 Al\n0.664273 0.164273 0.500000 Al\n0.174188 0.174189 0.000000 Au\n0.825811 0.825813 0.000001 Au\n","nsites":6,"nelements":3,"elements":["U","Al","Au"],"chemical_system":"Al-Au-U","density":13.04880144221364,"density_atomic":0.05102962879172739,"volume":117.57875066049242,"volume_molar":11.801263114373805,"formula_full":"U2 Al2 Au2","formula_reduced":"UAlAu","formula_anonymous":"ABC","energy_above_hull":2.2798154566666664,"spacegroup":71},{"id":"jvasp-99617","created_at":"2022-09-04T14:36:30.929901Z","updated_at":"2022-09-04T14:36:30.929920Z","structure_string":"Mg3 In1 Ag4\n1.0\n4.511581 -0.004014 6.845263\n2.049918 4.018982 6.845263\n-0.006560 -0.004014 8.198289\nMg In Ag\n3 1 4\ndirect\n0.249634 0.249634 0.249634 Mg\n0.750365 0.750367 0.750365 Mg\n0.500000 0.500001 0.499999 Mg\n0.000000 0.000000 0.000000 In\n0.872365 0.872367 0.872364 Ag\n0.378191 0.378192 0.378191 Ag\n0.127635 0.127635 0.127634 Ag\n0.621809 0.621810 0.621808 Ag\n","nsites":8,"nelements":3,"elements":["Mg","In","Ag"],"chemical_system":"Ag-In-Mg","density":6.902311623585002,"density_atomic":0.05370323363376452,"volume":148.96682115190558,"volume_molar":11.213739569331509,"formula_full":"Mg3 In1 Ag4","formula_reduced":"Mg3InAg4","formula_anonymous":"AB3C4","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-105597","created_at":"2022-09-04T14:36:30.925703Z","updated_at":"2022-09-04T14:36:30.925724Z","structure_string":"K2 Tb1 Au1 Cl6\n1.0\n6.509987 0.000000 3.758543\n2.169995 6.137675 3.758543\n-0.000000 -0.000000 7.517086\nTb K Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Au\n0.753381 0.246619 0.246619 Cl\n0.246620 0.246619 0.753381 Cl\n0.246620 0.753380 0.753381 Cl\n0.246620 0.753380 0.246619 Cl\n0.753381 0.246619 0.753381 Cl\n0.753382 0.753380 0.246618 Cl\n","nsites":10,"nelements":4,"elements":["Tb","K","Au","Cl"],"chemical_system":"Au-Cl-K-Tb","density":3.575937812653147,"density_atomic":0.03329403806495297,"volume":300.3540748193749,"volume_molar":18.08774516401847,"formula_full":"K2 Tb1 Au1 Cl6","formula_reduced":"K2TbAuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-7803","created_at":"2022-09-04T14:36:30.917780Z","updated_at":"2022-09-04T14:36:30.917804Z","structure_string":"Cd3 Te3\n1.0\n2.284601 -3.957046 -0.000000\n2.284601 3.957046 0.000000\n0.000000 0.000000 10.489469\nCd Te\n3 3\ndirect\n-0.000000 0.446728 0.666667 Cd\n0.446728 -0.000000 0.333333 Cd\n0.553272 0.553272 -0.000000 Cd\n-0.000000 0.474821 0.166667 Te\n0.474821 -0.000000 0.833333 Te\n0.525179 0.525179 0.500000 Te\n","nsites":6,"nelements":2,"elements":["Cd","Te"],"chemical_system":"Cd-Te","density":6.304295153387785,"density_atomic":0.03163634401707176,"volume":189.65529002852702,"volume_molar":19.03551420717357,"formula_full":"Cd3 Te3","formula_reduced":"CdTe","formula_anonymous":"AB","energy_above_hull":0.3028542555555557,"spacegroup":152},{"id":"jvasp-18793","created_at":"2022-09-04T14:36:30.915210Z","updated_at":"2022-09-04T14:36:30.915220Z","structure_string":"Zr6 Sn2\n1.0\n5.634105 -0.000000 -0.000000\n-0.000000 5.634105 0.000000\n0.000000 0.000000 5.634105\nZr Sn\n6 2\ndirect\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750001 0.000000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750001 0.000000 0.500000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750001 Zr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.286405894228321,"density_atomic":0.044731676727985004,"volume":178.8441790064857,"volume_molar":13.462810251046173,"formula_full":"Zr6 Sn2","formula_reduced":"Zr3Sn","formula_anonymous":"AB3","energy_above_hull":3.2447137999999995,"spacegroup":223},{"id":"jvasp-14978","created_at":"2022-09-04T14:36:30.914735Z","updated_at":"2022-09-04T14:36:30.914762Z","structure_string":"U1 Ge3\n1.0\n4.217057 0.000000 0.000000\n0.000000 4.217057 -0.000000\n0.000000 0.000000 4.217057\nU Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n","nsites":4,"nelements":2,"elements":["U","Ge"],"chemical_system":"Ge-U","density":10.095709969906896,"density_atomic":0.0533373675852631,"volume":74.99432726232226,"volume_molar":11.290659874380253,"formula_full":"U1 Ge3","formula_reduced":"UGe3","formula_anonymous":"AB3","energy_above_hull":2.0149609625,"spacegroup":221}]}