{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3545","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3543","results":[{"id":"jvasp-71310","created_at":"2022-09-04T14:36:17.386349Z","updated_at":"2022-09-04T14:36:17.386381Z","structure_string":"Mg1 Be2 Re1\n1.0\n3.033887 -0.000000 -0.000000\n-0.000000 3.033887 -0.000000\n-0.000000 0.000000 5.629737\nMg Be Re\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.690116 Be\n0.000000 0.000000 0.309884 Be\n0.500000 0.500000 0.500000 Re\n","nsites":4,"nelements":3,"elements":["Mg","Be","Re"],"chemical_system":"Be-Mg-Re","density":7.323480038548778,"density_atomic":0.07719214025901285,"volume":51.81874717527301,"volume_molar":7.801494737408662,"formula_full":"Mg1 Be2 Re1","formula_reduced":"MgBe2Re","formula_anonymous":"ABC2","energy_above_hull":2.4659173125,"spacegroup":123},{"id":"jvasp-89402","created_at":"2022-09-04T14:36:17.378446Z","updated_at":"2022-09-04T14:36:17.378458Z","structure_string":"Na10 P6 O20\n1.0\n5.353757 0.000000 0.000000\n-2.676878 4.812385 -0.591259\n0.000000 -0.029111 18.579581\nNa P O\n10 6 20\ndirect\n0.346837 0.652353 0.067013 Na\n0.889667 0.928296 0.824542 Na\n0.461372 0.071706 0.675458 Na\n0.194485 0.347648 0.432987 Na\n0.653164 0.347648 0.932987 Na\n0.538629 0.928295 0.324542 Na\n0.000000 0.000000 0.000000 Na\n0.110334 0.071706 0.175458 Na\n0.805516 0.652353 0.567013 Na\n0.500000 0.000000 0.500000 Na\n0.144688 0.336153 0.598714 P\n0.691465 0.336153 0.098714 P\n0.101108 0.500001 0.750000 P\n0.898893 0.500001 0.250000 P\n0.308535 0.663848 0.901285 P\n0.855313 0.663848 0.401286 P\n0.830845 0.248810 0.766643 O\n0.738697 0.584168 0.313811 O\n0.756948 0.594482 0.062883 O\n0.662466 0.405519 0.437117 O\n0.917966 0.248810 0.266644 O\n0.935224 0.267871 0.097115 O\n0.167352 0.732130 0.402885 O\n0.337535 0.594482 0.562883 O\n0.601859 0.909812 0.924894 O\n0.261304 0.415833 0.686189 O\n0.398142 0.090189 0.075106 O\n0.807955 0.909812 0.424894 O\n0.082035 0.751191 0.733356 O\n0.192046 0.090189 0.575106 O\n0.243053 0.405519 0.937117 O\n0.169155 0.751191 0.233356 O\n0.654530 0.415833 0.186189 O\n0.832649 0.267871 0.597115 O\n0.064777 0.732130 0.902884 O\n0.345471 0.584168 0.813811 O\n","nsites":36,"nelements":3,"elements":["Na","P","O"],"chemical_system":"Na-O-P","density":2.552673172545533,"density_atomic":0.07521962719185532,"volume":478.59849010123827,"volume_molar":8.006076319203121,"formula_full":"Na10 P6 O20","formula_reduced":"Na5P3O10","formula_anonymous":"A3B5C10","energy_above_hull":1.929690916666667,"spacegroup":15},{"id":"jvasp-94953","created_at":"2022-09-04T14:36:17.378405Z","updated_at":"2022-09-04T14:36:17.378430Z","structure_string":"Sn1 B6\n1.0\n4.201072 -0.000000 0.000000\n-0.000000 4.201072 -0.000000\n-0.000000 -0.000000 4.201072\nSn B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.202251 0.500000 0.500000 B\n0.500000 0.500000 0.797749 B\n0.500000 0.500000 0.202251 B\n0.500000 0.202251 0.500000 B\n0.500000 0.797749 0.500000 B\n0.797749 0.500000 0.500000 B\n","nsites":7,"nelements":2,"elements":["Sn","B"],"chemical_system":"B-Sn","density":4.111351665413819,"density_atomic":0.09440992785591293,"volume":74.14474472095031,"volume_molar":6.378715561768997,"formula_full":"Sn1 B6","formula_reduced":"SnB6","formula_anonymous":"AB6","energy_above_hull":4.4688696000000006,"spacegroup":221},{"id":"jvasp-67696","created_at":"2022-09-04T14:36:17.370493Z","updated_at":"2022-09-04T14:36:17.370521Z","structure_string":"Be1 Ga1 Pb1\n1.0\n-1.613099 1.613099 5.829495\n1.613099 -1.613099 5.829495\n1.613099 1.613099 -5.829495\nBe Ga Pb\n1 1 1\ndirect\n0.962929 0.962929 0.000000 Be\n0.380240 0.380240 0.000000 Ga\n0.656833 0.656833 0.000000 Pb\n","nsites":3,"nelements":3,"elements":["Be","Ga","Pb"],"chemical_system":"Be-Ga-Pb","density":7.825349135450672,"density_atomic":0.04944339518819384,"volume":60.67544489170404,"volume_molar":12.179868993782156,"formula_full":"Be1 Ga1 Pb1","formula_reduced":"BeGaPb","formula_anonymous":"ABC","energy_above_hull":0.6375530816666666,"spacegroup":107},{"id":"jvasp-64969","created_at":"2022-09-04T14:36:17.369880Z","updated_at":"2022-09-04T14:36:17.369901Z","structure_string":"Be2 Cd1 Cu1\n1.0\n-1.803539 1.803539 3.801624\n1.803539 -1.803539 3.801624\n1.803539 1.803539 -3.801624\nBe Cd Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Be","Cd","Cu"],"chemical_system":"Be-Cd-Cu","density":6.5122172178343645,"density_atomic":0.08086856994993984,"volume":49.462974335716886,"volume_molar":7.446824846448864,"formula_full":"Be2 Cd1 Cu1","formula_reduced":"Be2CdCu","formula_anonymous":"ABC2","energy_above_hull":0.5151697562499999,"spacegroup":119},{"id":"jvasp-96633","created_at":"2022-09-04T14:36:17.366808Z","updated_at":"2022-09-04T14:36:17.366837Z","structure_string":"Rb4 Sn4 Se10\n1.0\n6.963724 0.044060 1.838880\n1.787409 6.730570 1.838880\n-0.064009 -0.049552 12.244433\nRb Sn Se\n4 4 10\ndirect\n0.593565 0.935292 0.321956 Rb\n0.064708 0.406435 0.178044 Rb\n0.406434 0.064708 0.678044 Rb\n0.935292 0.593566 0.821956 Rb\n0.748495 0.442885 0.558051 Sn\n0.251504 0.557115 0.441948 Sn\n0.442885 0.748496 0.058052 Sn\n0.557115 0.251504 0.941948 Sn\n0.241248 0.138888 0.963010 Se\n0.181521 0.818479 0.250000 Se\n0.758752 0.861112 0.036990 Se\n0.649394 0.378923 0.381139 Se\n0.621077 0.350605 0.118861 Se\n0.350605 0.621078 0.618861 Se\n0.378922 0.649394 0.881139 Se\n0.818478 0.181522 0.750000 Se\n0.138888 0.241248 0.463010 Se\n0.861112 0.758752 0.536990 Se\n","nsites":18,"nelements":3,"elements":["Rb","Sn","Se"],"chemical_system":"Rb-Se-Sn","density":4.645409147313623,"density_atomic":0.03134856683352976,"volume":574.1889284950527,"volume_molar":19.210258612393233,"formula_full":"Rb4 Sn4 Se10","formula_reduced":"Rb2Sn2Se5","formula_anonymous":"A2B2C5","energy_above_hull":0.6930244703703703,"spacegroup":15},{"id":"jvasp-63408","created_at":"2022-09-04T14:36:17.366199Z","updated_at":"2022-09-04T14:36:17.366232Z","structure_string":"Rb1 Au1 Se2 O8\n1.0\n2.661461 5.381326 -0.018320\n-2.661461 5.381326 -0.018320\n0.000000 3.263090 6.584392\nRb Au Se O\n1 1 2 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.299385 0.299385 0.160554 Se\n0.700616 0.700616 0.839446 Se\n0.323102 0.323102 0.924992 O\n0.676899 0.676899 0.075007 O\n0.134310 0.634174 0.213475 O\n0.365827 0.865691 0.786525 O\n0.865691 0.365827 0.786525 O\n0.634174 0.134310 0.213475 O\n0.141526 0.141526 0.341430 O\n0.858475 0.858475 0.658570 O\n","nsites":12,"nelements":4,"elements":["Rb","Au","Se","O"],"chemical_system":"Au-O-Rb-Se","density":4.995482636434365,"density_atomic":0.06351759815158378,"volume":188.92402025911278,"volume_molar":9.48105869121224,"formula_full":"Rb1 Au1 Se2 O8","formula_reduced":"RbAu(SeO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.1293560252777777,"spacegroup":12},{"id":"jvasp-74219","created_at":"2022-09-04T14:36:17.365084Z","updated_at":"2022-09-04T14:36:17.365113Z","structure_string":"Li1 Ca2 Be1\n1.0\n-2.296656 2.296656 4.631540\n2.296656 -2.296656 4.631540\n2.296656 2.296656 -4.631540\nLi Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750001 0.500001 Ca\n0.750001 0.250000 0.500001 Be\n","nsites":4,"nelements":3,"elements":["Li","Ca","Be"],"chemical_system":"Be-Ca-Li","density":1.633189832786973,"density_atomic":0.040933858179098365,"volume":97.71861676216191,"volume_molar":14.711881625355861,"formula_full":"Li1 Ca2 Be1","formula_reduced":"LiCa2Be","formula_anonymous":"ABC2","energy_above_hull":0.4957067349999999,"spacegroup":119},{"id":"jvasp-15821","created_at":"2022-09-04T14:36:17.363563Z","updated_at":"2022-09-04T14:36:17.363602Z","structure_string":"Cu6 P2\n1.0\n2.033253 -3.521699 0.000000\n2.033253 3.521699 -0.000000\n0.000000 0.000000 7.418529\nCu P\n6 2\ndirect\n0.333332 0.666666 0.371592 Cu\n0.666666 0.333332 0.628408 Cu\n0.333332 0.666666 0.016424 Cu\n0.666666 0.333332 0.983576 Cu\n0.000000 -0.000000 0.180449 Cu\n0.000000 -0.000000 0.819551 Cu\n0.666666 0.333332 0.300357 P\n0.333332 0.666666 0.699643 P\n","nsites":8,"nelements":2,"elements":["Cu","P"],"chemical_system":"Cu-P","density":6.927562453058819,"density_atomic":0.07530061735699428,"volume":106.24082883773225,"volume_molar":7.997465321498636,"formula_full":"Cu6 P2","formula_reduced":"Cu3P","formula_anonymous":"AB3","energy_above_hull":0.4343467125,"spacegroup":164},{"id":"jvasp-66278","created_at":"2022-09-04T14:36:17.362249Z","updated_at":"2022-09-04T14:36:17.362282Z","structure_string":"Ba4 In1 Ru1\n1.0\n0.000000 4.854357 4.854357\n4.854357 -0.000000 4.854357\n4.854357 4.854357 -0.000000\nBa In Ru\n4 1 1\ndirect\n0.123629 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123629 0.625458 Ba\n0.625458 0.625458 0.123629 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Ru\n","nsites":6,"nelements":3,"elements":["Ba","In","Ru"],"chemical_system":"Ba-In-Ru","density":5.553882104913687,"density_atomic":0.02622564138740424,"volume":228.7837277787877,"volume_molar":22.96279687135636,"formula_full":"Ba4 In1 Ru1","formula_reduced":"Ba4InRu","formula_anonymous":"ABC4","energy_above_hull":0.7024240583333333,"spacegroup":216},{"id":"jvasp-95157","created_at":"2022-09-04T14:36:17.359305Z","updated_at":"2022-09-04T14:36:17.359326Z","structure_string":"Sr1 Cu3 Ru4 O12\n1.0\n6.110276 0.000000 -2.160355\n-3.055151 5.291691 -2.160392\n-0.000009 -0.000062 6.481040\nSr Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000001 0.000000 0.500000 Ru\n0.499999 -0.000000 -0.000000 Ru\n0.500000 0.499999 0.500000 Ru\n0.000001 0.500001 0.000000 Ru\n0.690370 0.175829 0.866196 O\n0.485446 0.309626 0.175818 O\n0.866193 0.690370 0.175820 O\n0.175829 0.485459 0.309637 O\n0.175829 0.866194 0.690367 O\n0.824172 0.133807 0.309634 O\n0.309629 0.175825 0.485458 O\n0.309631 0.824171 0.133804 O\n0.824172 0.514541 0.690364 O\n0.690371 0.824175 0.514542 O\n0.133808 0.309630 0.824180 O\n0.514554 0.690374 0.824180 O\n","nsites":20,"nelements":4,"elements":["Sr","Cu","Ru","O"],"chemical_system":"Cu-O-Ru-Sr","density":6.929899854015034,"density_atomic":0.09544050910043182,"volume":209.55462401142523,"volume_molar":6.309837213528393,"formula_full":"Sr1 Cu3 Ru4 O12","formula_reduced":"SrCu3(RuO3)4","formula_anonymous":"AB3C4D12","energy_above_hull":2.786887583,"spacegroup":204},{"id":"jvasp-106180","created_at":"2022-09-04T14:36:17.356967Z","updated_at":"2022-09-04T14:36:17.357003Z","structure_string":"Cr1 O3\n1.0\n4.795897 -0.214508 0.000000\n-2.544994 4.070583 0.000000\n0.000000 0.000000 3.065828\nCr O\n1 3\ndirect\n0.865568 0.865566 0.000000 Cr\n0.066595 0.066595 0.500000 O\n0.800488 0.501629 0.000000 O\n0.501631 0.800486 0.000000 O\n","nsites":4,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":2.8540913789729636,"density_atomic":0.06875487915618152,"volume":58.17768933770824,"volume_molar":8.758855857080755,"formula_full":"Cr1 O3","formula_reduced":"CrO3","formula_anonymous":"AB3","energy_above_hull":2.5872844750000006,"spacegroup":38}]}