{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4557","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4555","results":[{"id":"jvasp-119159","created_at":"2022-09-04T14:38:53.141967Z","updated_at":"2022-09-04T14:38:53.141997Z","structure_string":"Nb4 H3 S8\n1.0\n3.355898 -0.000000 0.000000\n-1.677949 2.906293 0.000000\n-0.000000 -0.000000 25.287344\nNb H S\n4 3 8\ndirect\n0.666667 0.333333 -0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666666 0.248404 Nb\n0.333333 0.666666 0.751596 Nb\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.248326 H\n0.000000 0.000000 0.751674 H\n0.666667 0.333333 0.313889 S\n0.666667 0.333333 0.817091 S\n0.333333 0.666666 0.937655 S\n0.333333 0.666666 0.434513 S\n0.333333 0.666666 0.062345 S\n0.333333 0.666666 0.565487 S\n0.666667 0.333333 0.182909 S\n0.666667 0.333333 0.686111 S\n","nsites":15,"nelements":3,"elements":["Nb","H","S"],"chemical_system":"H-Nb-S","density":4.249556687174255,"density_atomic":0.06081908671278259,"volume":246.63310172409066,"volume_molar":9.901728364385816,"formula_full":"Nb4 H3 S8","formula_reduced":"Nb4H3S8","formula_anonymous":"A3B4C8","energy_above_hull":3.651268506666667,"spacegroup":187},{"id":"jvasp-119165","created_at":"2022-09-04T14:38:53.150753Z","updated_at":"2022-09-04T14:38:53.150778Z","structure_string":"Na1 Ti6 Se8\n1.0\n9.809399 0.000000 0.000000\n-4.904699 8.495189 0.000000\n-0.000000 -0.000000 3.631415\nNa Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.499999 Na\n0.128504 0.491887 0.749288 Ti\n0.508113 0.636618 0.749288 Ti\n0.363382 0.871496 0.749288 Ti\n0.871496 0.508113 0.250711 Ti\n0.491887 0.363382 0.250711 Ti\n0.636618 0.128504 0.250711 Ti\n0.666667 0.333333 0.750494 Se\n0.333333 0.666667 0.249505 Se\n0.295646 0.343451 0.751200 Se\n0.656549 0.952195 0.751200 Se\n0.047805 0.704354 0.751200 Se\n0.704354 0.656549 0.248798 Se\n0.343451 0.047805 0.248798 Se\n0.952195 0.295646 0.248798 Se\n","nsites":15,"nelements":3,"elements":["Na","Ti","Se"],"chemical_system":"Na-Se-Ti","density":5.168321826247975,"density_atomic":0.04956783272928019,"volume":302.61561125587315,"volume_molar":12.149292047708725,"formula_full":"Na1 Ti6 Se8","formula_reduced":"Na(Ti3Se4)2","formula_anonymous":"AB6C8","energy_above_hull":2.683742395555556,"spacegroup":147},{"id":"jvasp-120169","created_at":"2022-09-04T14:38:53.151180Z","updated_at":"2022-09-04T14:38:53.151206Z","structure_string":"Sc2 O2 F2\n1.0\n3.606869 0.000000 -0.000000\n0.000000 3.606869 0.000000\n0.000000 0.000000 5.135214\nSc O F\n2 2 2\ndirect\n0.000000 0.499999 0.707878 Sc\n0.499999 0.000000 0.292120 Sc\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n0.000000 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":3.974646022090068,"density_atomic":0.08981150318505345,"volume":66.80658698738414,"volume_molar":6.705311175553526,"formula_full":"Sc2 O2 F2","formula_reduced":"ScOF","formula_anonymous":"ABC","energy_above_hull":0.1328596774999999,"spacegroup":129},{"id":"jvasp-122088","created_at":"2022-09-04T14:38:53.152156Z","updated_at":"2022-09-04T14:38:53.152183Z","structure_string":"Ba6 Sm2 Ir4 O18\n1.0\n5.968171 0.000000 0.000000\n-2.984085 5.168587 0.000000\n-0.000000 -0.000000 14.835444\nBa Sm Ir O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.595626 Ba\n0.666666 0.333333 0.404374 Ba\n0.666666 0.333333 0.095626 Ba\n0.333333 0.666667 0.904374 Ba\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.165346 Ir\n0.666666 0.333333 0.834653 Ir\n0.666666 0.333333 0.665346 Ir\n0.333333 0.666667 0.334653 Ir\n0.177456 0.822544 0.411081 O\n0.354912 0.177456 0.588919 O\n0.822543 0.645089 0.588919 O\n0.822543 0.177456 0.588919 O\n0.354912 0.177456 0.911081 O\n0.822543 0.645089 0.911081 O\n0.822543 0.177456 0.911081 O\n0.645088 0.822544 0.088919 O\n0.014755 0.507378 0.250000 O\n0.177456 0.822544 0.088919 O\n0.985244 0.492622 0.750000 O\n0.507378 0.014756 0.750000 O\n0.507377 0.492622 0.750000 O\n0.177456 0.354912 0.411081 O\n0.492622 0.985245 0.250000 O\n0.492622 0.507378 0.250000 O\n0.177456 0.354912 0.088919 O\n0.645088 0.822544 0.411081 O\n","nsites":30,"nelements":4,"elements":["Ba","Sm","Ir","O"],"chemical_system":"Ba-Ir-O-Sm","density":7.915866862494184,"density_atomic":0.06555527102125888,"volume":457.6291049162365,"volume_molar":9.186356285594613,"formula_full":"Ba6 Sm2 Ir4 O18","formula_reduced":"Ba3SmIr2O9","formula_anonymous":"AB2C3D9","energy_above_hull":null,"spacegroup":194},{"id":"jvasp-122925","created_at":"2022-09-04T14:38:53.153055Z","updated_at":"2022-09-04T14:38:53.153070Z","structure_string":"V1 Bi1\n1.0\n3.415246 0.000000 -0.000000\n-0.000000 3.415246 0.000000\n-0.000000 0.000000 3.415246\nV Bi\n1 1\ndirect\n0.500001 0.500001 0.500001 V\n0.000000 0.000000 0.000000 Bi\n","nsites":2,"nelements":2,"elements":["V","Bi"],"chemical_system":"Bi-V","density":10.834927169030932,"density_atomic":0.05020697106230864,"volume":39.8351057170513,"volume_molar":11.994630690878182,"formula_full":"V1 Bi1","formula_reduced":"VBi","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-117850","created_at":"2022-09-04T14:38:53.155359Z","updated_at":"2022-09-04T14:38:53.155381Z","structure_string":"Rb1 Pb1 Br1\n1.0\n6.013203 -0.703303 0.000000\n-0.685677 6.290329 0.000000\n0.000000 0.000000 3.562082\nRb Pb Br\n1 1 1\ndirect\n0.013876 0.447964 0.000000 Rb\n0.421751 0.001978 0.000000 Pb\n-0.106093 -0.077708 0.000000 Br\n","nsites":3,"nelements":3,"elements":["Rb","Pb","Br"],"chemical_system":"Br-Pb-Rb","density":4.651022524237662,"density_atomic":0.022553327166926537,"volume":133.01806770219554,"volume_molar":26.701784244194375,"formula_full":"Rb1 Pb1 Br1","formula_reduced":"RbPbBr","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":6},{"id":"jvasp-111840","created_at":"2022-09-04T14:38:53.157201Z","updated_at":"2022-09-04T14:38:53.157220Z","structure_string":"Li1 V4 O10\n1.0\n6.660935 0.020997 -0.372197\n1.461204 6.462148 -0.121451\n0.260194 -0.056439 4.503215\nLi V O\n1 4 10\ndirect\n0.500000 0.500000 -0.000000 Li\n0.206472 0.712509 0.589199 V\n0.793528 0.287491 0.410801 V\n0.675789 0.813813 0.407749 V\n0.324210 0.186187 0.592251 V\n0.949263 0.797592 0.493831 O\n0.050736 0.202409 0.506169 O\n0.377618 0.886635 0.501038 O\n0.622382 0.113365 0.498963 O\n0.227160 0.695884 0.952059 O\n0.772840 0.304116 0.047941 O\n0.666886 0.786938 0.050103 O\n0.333113 0.213063 0.949897 O\n0.312441 0.457637 0.464137 O\n0.687558 0.542364 0.535864 O\n","nsites":15,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":3.1679752098696192,"density_atomic":0.07719695648764771,"volume":194.30817848887799,"volume_molar":7.801008011194849,"formula_full":"Li1 V4 O10","formula_reduced":"LiV4O10","formula_anonymous":"AB4C10","energy_above_hull":3.3366127866666675,"spacegroup":2},{"id":"jvasp-120172","created_at":"2022-09-04T14:38:53.160510Z","updated_at":"2022-09-04T14:38:53.160542Z","structure_string":"Sc2 O3 F1\n1.0\n3.229463 0.000000 0.000000\n0.000000 3.392239 3.482507\n0.000000 -3.392239 3.482507\nSc O F\n2 3 1\ndirect\n0.000000 0.013559 0.013559 Sc\n0.499999 0.491719 0.491719 Sc\n0.499999 0.195315 0.195315 O\n0.000000 0.300423 0.696089 O\n0.000000 0.696089 0.300423 O\n0.499999 0.802897 0.802897 F\n","nsites":6,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":3.414731940907788,"density_atomic":0.07863438610614477,"volume":76.30249687332574,"volume_molar":7.658406275177126,"formula_full":"Sc2 O3 F1","formula_reduced":"Sc2O3F","formula_anonymous":"AB2C3","energy_above_hull":1.7141668804166663,"spacegroup":38},{"id":"jvasp-117868","created_at":"2022-09-04T14:38:53.163267Z","updated_at":"2022-09-04T14:38:53.163301Z","structure_string":"Pb2 Br2\n1.0\n3.929330 0.000000 0.000000\n0.000000 3.929330 0.000000\n-0.000000 0.000000 7.953610\nPb Br\n2 2\ndirect\n0.000000 0.000000 0.634681 Pb\n0.500000 0.500000 0.365319 Pb\n0.000000 0.000000 0.164221 Br\n0.500000 0.500000 0.835779 Br\n","nsites":4,"nelements":2,"elements":["Pb","Br"],"chemical_system":"Br-Pb","density":7.7645633285707145,"density_atomic":0.03257306991246795,"volume":122.80082935839354,"volume_molar":18.488096996024662,"formula_full":"Pb2 Br2","formula_reduced":"PbBr","formula_anonymous":"AB","energy_above_hull":0.059115205,"spacegroup":129},{"id":"jvasp-111993","created_at":"2022-09-04T14:38:53.165429Z","updated_at":"2022-09-04T14:38:53.165453Z","structure_string":"Li4 V2 Cr6 O16\n1.0\n5.080603 0.003343 2.933838\n1.688230 9.410122 2.933923\n-0.000199 0.000265 5.867599\nLi V Cr O\n4 2 6 16\ndirect\n0.437198 0.688448 0.437171 Li\n0.937196 0.188447 0.937171 Li\n0.062813 0.811558 0.062810 Li\n0.562812 0.311559 0.562815 Li\n0.250013 0.249985 0.249994 V\n0.750014 0.749986 0.749991 V\n-0.000003 0.000002 0.500000 Cr\n-0.000000 0.500002 0.500003 Cr\n-0.000001 0.500001 0.000007 Cr\n0.499992 0.000003 0.000002 Cr\n0.499995 0.000000 0.500003 Cr\n0.499993 0.499998 0.000011 Cr\n0.142524 0.122164 0.142587 O\n0.857460 0.877841 0.407289 O\n0.357460 0.377843 0.907293 O\n0.857452 0.877839 0.857410 O\n0.357453 0.377838 0.357415 O\n0.642522 0.622162 0.642590 O\n0.642531 0.622156 0.092724 O\n0.868617 0.394239 0.868584 O\n0.092755 0.622142 0.642557 O\n0.592752 0.122140 0.142555 O\n0.631375 0.105766 0.631422 O\n0.131378 0.605766 0.131427 O\n0.907272 0.377862 0.357441 O\n0.368614 0.894239 0.368578 O\n0.142531 0.122155 0.592719 O\n0.407272 0.877860 0.857436 O\n","nsites":28,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.1299062749104625,"density_atomic":0.09982376411711369,"volume":280.4943316618503,"volume_molar":6.032772670177812,"formula_full":"Li4 V2 Cr6 O16","formula_reduced":"Li2VCr3O8","formula_anonymous":"AB2C3D8","energy_above_hull":3.314274600000001,"spacegroup":166},{"id":"jvasp-111943","created_at":"2022-09-04T14:38:53.168876Z","updated_at":"2022-09-04T14:38:53.168900Z","structure_string":"Li4 Fe2 F8\n1.0\n4.981479 -0.030255 -0.000000\n-4.172654 2.721215 0.000000\n0.000000 0.000000 9.798950\nLi Fe F\n4 2 8\ndirect\n0.623773 0.376226 0.063152 Li\n0.623773 0.376226 0.436848 Li\n0.376228 0.623774 0.563152 Li\n0.376228 0.623774 0.936848 Li\n0.875750 0.124248 0.250000 Fe\n0.124251 0.875752 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.536069 0.463932 0.250000 F\n0.726358 0.273641 0.618532 F\n0.726358 0.273641 0.881468 F\n0.463932 0.536069 0.750000 F\n0.273643 0.726359 0.118532 F\n0.273643 0.726359 0.381468 F\n","nsites":14,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.677586568755988,"density_atomic":0.10638756240017158,"volume":131.59433005279027,"volume_molar":5.660568419970008,"formula_full":"Li4 Fe2 F8","formula_reduced":"Li2FeF4","formula_anonymous":"AB2C4","energy_above_hull":0.3143466614285713,"spacegroup":63},{"id":"jvasp-118522","created_at":"2022-09-04T14:38:53.173612Z","updated_at":"2022-09-04T14:38:53.173638Z","structure_string":"Li1 Hf1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nLi Hf O\n1 1 1\ndirect\n0.279635 0.001179 0.000000 Li\n-0.009065 -0.106256 0.000000 Hf\n0.001457 0.323972 0.000000 O\n","nsites":3,"nelements":3,"elements":["Li","Hf","O"],"chemical_system":"Hf-Li-O","density":1.6740376972140811,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Li1 Hf1 O1","formula_reduced":"LiHfO","formula_anonymous":"ABC","energy_above_hull":3.3316855,"spacegroup":6}]}