{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=130","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=128","results":[{"id":"jvasp-19927","created_at":"2022-09-04T14:36:03.487692Z","updated_at":"2022-09-04T14:36:03.487721Z","structure_string":"Tm1 Pd3\n1.0\n4.080961 -0.000000 0.000000\n-0.000000 4.080961 -0.000000\n0.000000 0.000000 4.080961\nTm Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n","nsites":4,"nelements":2,"elements":["Tm","Pd"],"chemical_system":"Pd-Tm","density":11.927636313789398,"density_atomic":0.05885354915663598,"volume":67.96531487598456,"volume_molar":10.232417324522526,"formula_full":"Tm1 Pd3","formula_reduced":"TmPd3","formula_anonymous":"AB3","energy_above_hull":1.3450278375,"spacegroup":221},{"id":"jvasp-98840","created_at":"2022-09-04T14:36:05.452629Z","updated_at":"2022-09-04T14:36:05.452654Z","structure_string":"Zr16 Cu8\n1.0\n7.506850 -0.000000 4.334082\n2.502284 7.077526 4.334082\n-0.000000 -0.000000 8.668163\nZr Cu\n16 8\ndirect\n0.940281 0.940283 0.309717 Zr\n0.500000 0.500000 -0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.500000 0.500000 Zr\n0.059717 0.690283 0.059718 Zr\n0.309717 0.940283 0.940282 Zr\n0.059717 0.690283 0.690282 Zr\n0.309717 0.940283 0.309717 Zr\n0.690282 0.059718 0.059718 Zr\n0.309718 0.309718 0.940282 Zr\n0.940282 0.309718 0.940282 Zr\n0.059718 0.059718 0.690282 Zr\n0.690282 0.059718 0.690282 Zr\n0.690282 0.690283 0.059718 Zr\n0.940282 0.309718 0.309717 Zr\n0.500000 0.500000 0.500000 Zr\n0.709407 0.371779 0.709407 Cu\n0.709407 0.709408 0.371778 Cu\n0.371778 0.709408 0.709407 Cu\n0.290593 0.290593 0.290593 Cu\n0.290593 0.290593 0.628221 Cu\n0.628221 0.290593 0.290592 Cu\n0.290592 0.628222 0.290592 Cu\n0.709407 0.709408 0.709407 Cu\n","nsites":24,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.09573386016996,"density_atomic":0.05211286630918894,"volume":460.53885920621747,"volume_molar":11.555957648290265,"formula_full":"Zr16 Cu8","formula_reduced":"Zr2Cu","formula_anonymous":"AB2","energy_above_hull":2.393986483333334,"spacegroup":227},{"id":"jvasp-93292","created_at":"2022-09-04T14:36:01.366635Z","updated_at":"2022-09-04T14:36:01.366650Z","structure_string":"Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n","nsites":6,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":4.084938911388898,"density_atomic":0.045822287932359006,"volume":130.94064636966525,"volume_molar":13.14238339405845,"formula_full":"Mg5 Hg1","formula_reduced":"Mg5Hg","formula_anonymous":"AB5","energy_above_hull":0.0,"spacegroup":155},{"id":"jvasp-15817","created_at":"2022-09-04T14:35:53.832439Z","updated_at":"2022-09-04T14:35:53.832464Z","structure_string":"Ti5 Te4\n1.0\n3.631043 -0.000000 0.952847\n1.815522 7.224048 0.476423\n-0.018108 0.000001 7.463889\nTi Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.314483 0.064328 0.306705 Ti\n0.621188 0.693295 0.064328 Ti\n0.378810 0.306705 0.935673 Ti\n0.685515 0.935673 0.693295 Ti\n0.059407 0.219971 0.661213 Te\n0.720619 0.338787 0.219972 Te\n0.279378 0.661213 0.780029 Te\n0.940591 0.780029 0.338787 Te\n","nsites":9,"nelements":2,"elements":["Ti","Te"],"chemical_system":"Te-Ti","density":6.354820569858658,"density_atomic":0.04593978084324685,"volume":195.90864028518763,"volume_molar":13.108771198862295,"formula_full":"Ti5 Te4","formula_reduced":"Ti5Te4","formula_anonymous":"A4B5","energy_above_hull":2.921400303703704,"spacegroup":87},{"id":"jvasp-91768","created_at":"2022-09-04T14:35:50.891575Z","updated_at":"2022-09-04T14:35:50.891600Z","structure_string":"Sr4 N4\n1.0\n0.000000 3.786469 -0.000000\n0.000000 -0.000000 5.355216\n7.572714 0.000000 0.000000\nSr N\n4 4\ndirect\n0.250000 0.749984 0.625004 Sr\n0.250000 0.750017 0.125004 Sr\n0.750000 0.250017 0.374995 Sr\n0.750000 0.249983 0.874995 Sr\n0.250000 0.250026 0.624981 N\n0.250000 0.249974 0.124982 N\n0.750000 0.749975 0.375018 N\n0.750000 0.750026 0.875018 N\n","nsites":8,"nelements":2,"elements":["Sr","N"],"chemical_system":"N-Sr","density":4.395962298267888,"density_atomic":0.05209871764993032,"volume":153.55464320167772,"volume_molar":11.559095946401005,"formula_full":"Sr4 N4","formula_reduced":"SrN","formula_anonymous":"AB","energy_above_hull":1.3516647799999997,"spacegroup":225},{"id":"jvasp-93525","created_at":"2022-09-04T14:36:01.458649Z","updated_at":"2022-09-04T14:36:01.458682Z","structure_string":"Ca2 Mg4\n1.0\n3.541577 0.000000 0.000000\n-1.770789 3.067096 0.000000\n-0.000000 -0.000000 16.102171\nCa Mg\n2 4\ndirect\n0.666668 0.333333 0.100428 Ca\n0.333333 0.666668 0.899572 Ca\n0.333333 0.666668 0.272134 Mg\n0.666668 0.333333 0.424503 Mg\n0.333333 0.666668 0.575497 Mg\n0.666668 0.333333 0.727866 Mg\n","nsites":6,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.6839743101062417,"density_atomic":0.03430384156319311,"volume":174.90752424759918,"volume_molar":17.55529551670259,"formula_full":"Ca2 Mg4","formula_reduced":"CaMg2","formula_anonymous":"AB2","energy_above_hull":0.1926074999999999,"spacegroup":164},{"id":"jvasp-98176","created_at":"2022-09-04T14:35:54.162420Z","updated_at":"2022-09-04T14:35:54.162442Z","structure_string":"La2 Au2\n1.0\n-3.988147 -0.000000 0.000000\n-0.000000 -0.000000 -4.841414\n1.994073 -5.755818 0.000000\nLa Au\n2 2\ndirect\n0.865017 0.749999 0.730031 La\n0.134985 0.250000 0.269969 La\n0.590073 0.749999 0.180145 Au\n0.409929 0.250000 0.819855 Au\n","nsites":4,"nelements":2,"elements":["La","Au"],"chemical_system":"Au-La","density":10.03696735214384,"density_atomic":0.035992296589489464,"volume":111.13489215823164,"volume_molar":16.731749098107276,"formula_full":"La2 Au2","formula_reduced":"LaAu","formula_anonymous":"AB","energy_above_hull":0.295591285,"spacegroup":63},{"id":"jvasp-28356","created_at":"2022-09-04T14:35:58.036488Z","updated_at":"2022-09-04T14:35:58.036518Z","structure_string":"Pb2 S2\n1.0\n4.122223 0.000000 0.000000\n-2.061112 3.569886 0.000000\n0.000000 0.000000 7.481065\nPb S\n2 2\ndirect\n-0.000003 -0.000005 0.480580 Pb\n0.000003 0.000005 0.980580 Pb\n0.333329 0.666659 0.698619 S\n0.666671 0.333342 0.198620 S\n","nsites":4,"nelements":2,"elements":["Pb","S"],"chemical_system":"Pb-S","density":7.21786922693483,"density_atomic":0.036333792645723534,"volume":110.0903513982815,"volume_molar":16.57448981095785,"formula_full":"Pb2 S2","formula_reduced":"PbS","formula_anonymous":"AB","energy_above_hull":0.4289354099999999,"spacegroup":186},{"id":"jvasp-97611","created_at":"2022-09-04T14:35:53.452296Z","updated_at":"2022-09-04T14:35:53.452321Z","structure_string":"Fe12 S12\n1.0\n5.855884 0.000000 0.000000\n-2.927942 5.071344 -0.000000\n-0.000000 0.000000 10.514585\nFe S\n12 12\ndirect\n0.406998 0.069141 0.114535 Fe\n0.930858 0.337857 0.385465 Fe\n0.930858 0.337857 0.114535 Fe\n0.662142 0.593001 0.114535 Fe\n0.337857 0.930858 0.885465 Fe\n0.593001 0.662142 0.885465 Fe\n0.069141 0.406998 0.885465 Fe\n0.406998 0.069141 0.385465 Fe\n0.069141 0.406998 0.614535 Fe\n0.337857 0.930858 0.614535 Fe\n0.593001 0.662142 0.614535 Fe\n0.662142 0.593001 0.385465 Fe\n0.027356 0.675997 0.750000 S\n0.333333 0.666666 0.036757 S\n0.333333 0.666666 0.463244 S\n0.666666 0.333333 0.963244 S\n0.666666 0.333333 0.536757 S\n0.675997 0.027356 0.250000 S\n0.351359 0.324002 0.250000 S\n0.972643 0.648640 0.250000 S\n0.648640 0.972643 0.750000 S\n0.324002 0.351359 0.750000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n","nsites":24,"nelements":2,"elements":["Fe","S"],"chemical_system":"Fe-S","density":5.609975331681966,"density_atomic":0.07686056448456724,"volume":312.25375666892137,"volume_molar":7.835150314579304,"formula_full":"Fe12 S12","formula_reduced":"FeS","formula_anonymous":"AB","energy_above_hull":1.5858677499999996,"spacegroup":190},{"id":"jvasp-89916","created_at":"2022-09-04T14:35:54.164230Z","updated_at":"2022-09-04T14:35:54.164255Z","structure_string":"Ta6 N3\n1.0\n-0.000028 0.000048 -4.967997\n-2.658516 -4.604606 0.000032\n-2.658446 4.604565 -0.000064\nTa N\n6 3\ndirect\n0.246455 0.333233 0.333239 Ta\n0.246456 0.666769 0.000006 Ta\n0.246472 0.000000 0.666775 Ta\n0.753545 0.666769 0.666763 Ta\n0.753544 0.333233 0.999996 Ta\n0.753527 0.000000 0.333227 Ta\n0.500000 0.666654 0.333328 N\n0.500000 0.333348 0.666674 N\n0.000000 0.000000 0.000000 N\n","nsites":9,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":15.396077806596228,"density_atomic":0.07399580284891645,"volume":121.62852017939542,"volume_molar":8.138489655009106,"formula_full":"Ta6 N3","formula_reduced":"Ta2N","formula_anonymous":"AB2","energy_above_hull":5.165840549999999,"spacegroup":162},{"id":"jvasp-15008","created_at":"2022-09-04T14:35:58.054797Z","updated_at":"2022-09-04T14:35:58.054817Z","structure_string":"Nb6 Ga2\n1.0\n5.194063 0.000000 -0.000000\n0.000000 5.194063 -0.000000\n-0.000000 -0.000000 5.194063\nNb Ga\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n","nsites":8,"nelements":2,"elements":["Nb","Ga"],"chemical_system":"Ga-Nb","density":8.258251910949097,"density_atomic":0.05709109174505803,"volume":140.1269402190492,"volume_molar":10.548301978340245,"formula_full":"Nb6 Ga2","formula_reduced":"Nb3Ga","formula_anonymous":"AB3","energy_above_hull":3.96470763125,"spacegroup":223},{"id":"jvasp-12164","created_at":"2022-09-04T14:35:51.114515Z","updated_at":"2022-09-04T14:35:51.114541Z","structure_string":"Y2 Br6\n1.0\n3.543448 6.120477 -0.002073\n-3.543448 6.120477 0.002073\n-2.365625 0.000000 6.353374\nY Br\n2 6\ndirect\n0.166388 0.166388 0.000000 Y\n0.833612 0.833612 0.000000 Y\n0.070758 0.582850 0.752175 Br\n0.417150 0.929242 0.752175 Br\n0.232856 0.767144 0.254525 Br\n0.767144 0.232856 0.745475 Br\n0.582851 0.070758 0.247825 Br\n0.929243 0.417150 0.247825 Br\n","nsites":8,"nelements":2,"elements":["Y","Br"],"chemical_system":"Br-Y","density":3.961130074291937,"density_atomic":0.029036137731774346,"volume":275.51873716474256,"volume_molar":20.74015771529404,"formula_full":"Y2 Br6","formula_reduced":"YBr3","formula_anonymous":"AB3","energy_above_hull":0.1718944412499999,"spacegroup":12}]}