{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=59","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=57","results":[{"id":"jvasp-10080","created_at":"2022-09-04T14:38:09.694829Z","updated_at":"2022-09-04T14:38:09.694845Z","structure_string":"Ca1 Zr1 Si2 O7\n1.0\n4.692422 0.006965 -0.589257\n-0.861946 5.340992 -1.279337\n0.004756 -0.000672 5.559301\nCa Zr Si O\n1 1 2 7\ndirect\n0.500000 0.292905 0.707095 Ca\n0.499999 0.684897 0.315103 Zr\n0.919068 0.221180 0.206381 Si\n0.080932 0.793619 0.778820 Si\n0.712747 0.412894 0.117753 O\n0.287252 0.882247 0.587106 O\n0.736231 0.036694 0.345316 O\n0.263769 0.654684 0.963306 O\n0.000001 0.060398 0.939602 O\n0.779194 0.623597 0.623710 O\n0.220805 0.376289 0.376404 O\n","nsites":11,"nelements":4,"elements":["Ca","Zr","Si","O"],"chemical_system":"Ca-O-Si-Zr","density":3.567998021262615,"density_atomic":0.07892536703375251,"volume":139.37217416164614,"volume_molar":7.63017137116971,"formula_full":"Ca1 Zr1 Si2 O7","formula_reduced":"CaZrSi2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.673216056363636,"spacegroup":5},{"id":"jvasp-100800","created_at":"2022-09-04T14:36:40.171478Z","updated_at":"2022-09-04T14:36:40.171500Z","structure_string":"Ta1 Ti1 C2\n1.0\n2.994830 0.001282 4.493050\n1.361133 2.667644 4.493050\n0.002093 0.001282 5.399676\nTa Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499998 0.500002 Ti\n0.751225 0.751224 0.751229 C\n0.248774 0.248773 0.248775 C\n","nsites":4,"nelements":3,"elements":["Ta","Ti","C"],"chemical_system":"C-Ta-Ti","density":9.74233352525937,"density_atomic":0.09281848924569519,"volume":43.09486216061759,"volume_molar":6.488083149100921,"formula_full":"Ta1 Ti1 C2","formula_reduced":"TaTiC2","formula_anonymous":"ABC2","energy_above_hull":5.434629383333332,"spacegroup":166},{"id":"jvasp-100801","created_at":"2022-09-04T14:36:40.409569Z","updated_at":"2022-09-04T14:36:40.409585Z","structure_string":"Ta1 B4 W3\n1.0\n3.114317 0.000000 0.000000\n0.000000 3.227759 0.000000\n0.000000 0.000000 8.564371\nTa B W\n1 4 3\ndirect\n0.000000 0.000000 0.146091 Ta\n0.000000 0.000000 0.440951 B\n-0.000000 0.500000 0.939251 B\n0.500001 0.500000 0.055467 B\n0.500001 0.000000 0.562425 B\n-0.000000 0.500000 0.646363 W\n0.500001 0.500000 0.357744 W\n0.500001 0.000000 0.851710 W\n","nsites":8,"nelements":3,"elements":["Ta","B","W"],"chemical_system":"B-Ta-W","density":14.96201723742306,"density_atomic":0.09292457801568883,"volume":86.09132450027728,"volume_molar":6.48067592944383,"formula_full":"Ta1 B4 W3","formula_reduced":"TaB4W3","formula_anonymous":"AB3C4","energy_above_hull":7.004224941666667,"spacegroup":25},{"id":"jvasp-100802","created_at":"2022-09-04T14:37:00.117863Z","updated_at":"2022-09-04T14:37:00.117893Z","structure_string":"Ta2 Fe1 S4\n1.0\n3.333735 -0.000000 0.000000\n-1.666867 2.887099 0.000000\n-0.000000 -0.000000 11.889075\nTa Fe S\n2 1 4\ndirect\n0.000000 0.000000 0.258252 Ta\n0.000000 0.000000 0.741749 Ta\n0.000000 0.000000 0.500000 Fe\n0.333332 0.666667 0.395449 S\n0.666665 0.333333 0.604551 S\n0.666665 0.333333 0.873322 S\n0.333332 0.666667 0.126678 S\n","nsites":7,"nelements":3,"elements":["Ta","Fe","S"],"chemical_system":"Fe-S-Ta","density":7.9232165722212216,"density_atomic":0.06117263983379632,"volume":114.43024232759494,"volume_molar":9.844500378538383,"formula_full":"Ta2 Fe1 S4","formula_reduced":"Ta2FeS4","formula_anonymous":"AB2C4","energy_above_hull":3.849854842857142,"spacegroup":164},{"id":"jvasp-100803","created_at":"2022-09-04T14:36:41.286402Z","updated_at":"2022-09-04T14:36:41.286431Z","structure_string":"Sr1 In1 Au5\n1.0\n5.738472 -0.006972 -1.299861\n-3.662957 4.417336 -1.299861\n0.003281 0.006972 5.883850\nSr In Au\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 In\n0.306561 0.693440 0.000000 Au\n0.693439 0.306561 0.000000 Au\n0.693439 0.693440 0.386878 Au\n0.306561 0.306561 0.613123 Au\n0.250000 0.750001 0.500000 Au\n","nsites":7,"nelements":3,"elements":["Sr","In","Au"],"chemical_system":"Au-In-Sr","density":13.222547335705126,"density_atomic":0.04694769448518539,"volume":149.10210345278807,"volume_molar":12.827340780068168,"formula_full":"Sr1 In1 Au5","formula_reduced":"SrInAu5","formula_anonymous":"ABC5","energy_above_hull":0.2111661238095238,"spacegroup":119},{"id":"jvasp-100804","created_at":"2022-09-04T14:36:41.398638Z","updated_at":"2022-09-04T14:36:41.398656Z","structure_string":"Sr1 La1 Fe2 O6\n1.0\n4.716652 0.011108 2.680308\n1.563833 4.450278 2.679661\n0.014482 0.011094 5.425692\nSr La Fe O\n1 1 2 6\ndirect\n0.249999 0.250000 0.250001 Sr\n0.749998 0.750001 0.750000 La\n0.500106 0.500110 0.500109 Fe\n-0.000111 -0.000107 -0.000108 Fe\n0.727064 0.772935 0.250001 O\n0.773028 0.249874 0.726981 O\n0.250125 0.726970 0.773020 O\n0.218565 0.750100 0.281426 O\n0.749900 0.281435 0.218574 O\n0.281317 0.218682 0.750000 O\n","nsites":10,"nelements":4,"elements":["Sr","La","Fe","O"],"chemical_system":"Fe-La-O-Sr","density":6.351125956170165,"density_atomic":0.08808458991635536,"volume":113.52723568896609,"volume_molar":6.836769934126494,"formula_full":"Sr1 La1 Fe2 O6","formula_reduced":"SrLa(FeO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.4655793310000007,"spacegroup":155},{"id":"jvasp-100805","created_at":"2022-09-04T14:36:42.073291Z","updated_at":"2022-09-04T14:36:42.073316Z","structure_string":"Sr1 In3 Hg1\n1.0\n4.546538 0.077872 -5.597709\n-0.512962 4.518179 -5.597709\n-0.068342 -0.077872 7.211150\nSr In Hg\n1 3 1\ndirect\n0.008022 0.008022 0.000000 Sr\n0.747725 0.247725 0.500000 In\n0.247725 0.747725 0.500001 In\n0.389237 0.389237 0.000000 In\n0.607294 0.607293 0.000000 Hg\n","nsites":5,"nelements":3,"elements":["Sr","In","Hg"],"chemical_system":"Hg-In-Sr","density":7.26953526647585,"density_atomic":0.03459827384648919,"volume":144.51588024838318,"volume_molar":17.405899458221345,"formula_full":"Sr1 In3 Hg1","formula_reduced":"SrIn3Hg","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":107},{"id":"jvasp-100806","created_at":"2022-09-04T14:36:42.266471Z","updated_at":"2022-09-04T14:36:42.266501Z","structure_string":"Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n","nsites":8,"nelements":4,"elements":["Sr","Br","N","Cl"],"chemical_system":"Br-Cl-N-Sr","density":4.326607259929073,"density_atomic":0.04220782316512852,"volume":189.53832252143914,"volume_molar":14.267830720479807,"formula_full":"Sr4 Br1 N2 Cl1","formula_reduced":"Sr4BrN2Cl","formula_anonymous":"ABC2D4","energy_above_hull":0.9789149890624996,"spacegroup":166},{"id":"jvasp-100807","created_at":"2022-09-04T14:37:06.108290Z","updated_at":"2022-09-04T14:37:06.108311Z","structure_string":"Sr2 Cd2 Pb2\n1.0\n5.159113 0.061716 3.931627\n2.618769 4.445481 3.931627\n-0.074977 -0.043448 8.081898\nSr Cd Pb\n2 2 2\ndirect\n0.456041 0.456042 0.797100 Sr\n0.543957 0.543958 0.202902 Sr\n0.848042 0.848043 0.596241 Cd\n0.151957 0.151958 0.403760 Cd\n0.168506 0.168506 0.780525 Pb\n0.831493 0.831494 0.219476 Pb\n","nsites":6,"nelements":3,"elements":["Sr","Cd","Pb"],"chemical_system":"Cd-Pb-Sr","density":7.279973477592637,"density_atomic":0.03229692117713049,"volume":185.77622204585282,"volume_molar":18.64617598368568,"formula_full":"Sr2 Cd2 Pb2","formula_reduced":"SrCdPb","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-100808","created_at":"2022-09-04T14:36:42.765787Z","updated_at":"2022-09-04T14:36:42.765809Z","structure_string":"Sn2 Ge1 Te3\n1.0\n4.440485 -0.000000 0.000000\n-2.220243 3.845572 0.000000\n0.000000 0.000000 10.910865\nSn Ge Te\n2 1 3\ndirect\n0.333333 0.666666 0.826229 Sn\n0.666666 0.333333 0.173772 Sn\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666666 0.347812 Te\n0.666666 0.333333 0.652189 Te\n0.000000 0.000000 0.000000 Te\n","nsites":6,"nelements":3,"elements":["Sn","Ge","Te"],"chemical_system":"Ge-Sn-Te","density":6.175100786923658,"density_atomic":0.032203324907391556,"volume":186.31616509333898,"volume_molar":18.700369534258098,"formula_full":"Sn2 Ge1 Te3","formula_reduced":"Sn2GeTe3","formula_anonymous":"AB2C3","energy_above_hull":0.7692154416666668,"spacegroup":164},{"id":"jvasp-100809","created_at":"2022-09-04T14:36:39.687700Z","updated_at":"2022-09-04T14:36:39.687740Z","structure_string":"Pr1 Dy1 C4\n1.0\n3.778890 0.000000 0.000000\n0.000000 3.778890 0.000000\n0.000000 0.000000 6.370450\nPr Dy C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.600817 C\n0.500000 0.500000 0.102102 C\n0.500000 0.500000 0.897898 C\n0.000000 0.000000 0.399183 C\n","nsites":6,"nelements":3,"elements":["Pr","Dy","C"],"chemical_system":"C-Dy-Pr","density":6.415264831883132,"density_atomic":0.0659557462685774,"volume":90.97008736081145,"volume_molar":9.130577850605057,"formula_full":"Pr1 Dy1 C4","formula_reduced":"PrDyC4","formula_anonymous":"ABC4","energy_above_hull":4.990101058333332,"spacegroup":123},{"id":"jvasp-10081","created_at":"2022-09-04T14:38:04.888486Z","updated_at":"2022-09-04T14:38:04.888519Z","structure_string":"Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n","nsites":12,"nelements":3,"elements":["Sr","Ca","Si"],"chemical_system":"Ca-Si-Sr","density":2.879661004327708,"density_atomic":0.033395816466706724,"volume":359.32644473487136,"volume_molar":18.0326202415313,"formula_full":"Sr4 Ca4 Si4","formula_reduced":"SrCaSi","formula_anonymous":"ABC","energy_above_hull":0.4493217766666664,"spacegroup":62}]}