{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=518","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=516","results":[{"id":"jvasp-69126","created_at":"2022-09-04T14:35:57.827674Z","updated_at":"2022-09-04T14:35:57.827698Z","structure_string":"Ba2 Sc1 Bi1\n1.0\n0.000000 4.271555 4.271555\n4.271555 0.000000 4.271555\n4.271555 4.271555 -0.000000\nBa Sc Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Sc","Bi"],"chemical_system":"Ba-Bi-Sc","density":5.6309321321236805,"density_atomic":0.025660906113144488,"volume":155.87914091432057,"volume_molar":23.46815320334784,"formula_full":"Ba2 Sc1 Bi1","formula_reduced":"Ba2ScBi","formula_anonymous":"ABC2","energy_above_hull":0.7180778724999999,"spacegroup":225},{"id":"jvasp-92275","created_at":"2022-09-04T14:35:57.832109Z","updated_at":"2022-09-04T14:35:57.832121Z","structure_string":"K1 Mo1 O3\n1.0\n0.000177 -3.940785 -0.000750\n-3.940900 -0.000178 -0.000330\n0.000456 0.001097 -3.940821\nK Mo O\n1 1 3\ndirect\n0.988022 -0.000006 0.997997 K\n0.487988 0.500004 0.497996 Mo\n0.488002 -0.000003 0.498016 O\n0.987994 0.500010 0.497982 O\n0.487986 0.499987 0.998006 O\n","nsites":5,"nelements":3,"elements":["K","Mo","O"],"chemical_system":"K-Mo-O","density":4.966173715653721,"density_atomic":0.08169681228775173,"volume":61.201898335874446,"volume_molar":7.371328931156913,"formula_full":"K1 Mo1 O3","formula_reduced":"KMoO3","formula_anonymous":"ABC3","energy_above_hull":2.15856288,"spacegroup":221},{"id":"jvasp-90718","created_at":"2022-09-04T14:35:57.833831Z","updated_at":"2022-09-04T14:35:57.833855Z","structure_string":"Fe1 Cu2 Ge1 Se4\n1.0\n5.635050 0.000000 -0.000000\n0.000000 5.635050 0.000000\n-2.817525 -2.817525 5.587933\nFe Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.885917 0.885917 0.255872 Se\n0.369954 0.369954 0.255872 Se\n0.114082 0.630044 0.744127 Se\n0.630044 0.114082 0.744127 Se\n","nsites":8,"nelements":4,"elements":["Fe","Cu","Ge","Se"],"chemical_system":"Cu-Fe-Ge-Se","density":5.347558154149401,"density_atomic":0.045086160107525544,"volume":177.4380426481403,"volume_molar":13.3569608625748,"formula_full":"Fe1 Cu2 Ge1 Se4","formula_reduced":"FeCu2GeSe4","formula_anonymous":"ABC2D4","energy_above_hull":1.2769094770833331,"spacegroup":121},{"id":"jvasp-71331","created_at":"2022-09-04T14:35:57.835087Z","updated_at":"2022-09-04T14:35:57.835122Z","structure_string":"Be1 In2 Cl1\n1.0\n3.086377 0.000000 0.000000\n0.000000 3.086377 0.000000\n-0.000000 0.000000 9.348685\nBe In Cl\n1 2 1\ndirect\n0.000000 0.000000 0.525038 Be\n0.000000 0.000000 0.011992 In\n0.500000 0.500000 0.308790 In\n0.500000 0.500000 0.654181 Cl\n","nsites":4,"nelements":3,"elements":["Be","In","Cl"],"chemical_system":"Be-Cl-In","density":5.111066497045942,"density_atomic":0.044917080130749014,"volume":89.05298359457939,"volume_molar":13.407240057613196,"formula_full":"Be1 In2 Cl1","formula_reduced":"BeIn2Cl","formula_anonymous":"ABC2","energy_above_hull":0.2480725268749999,"spacegroup":99},{"id":"jvasp-48118","created_at":"2022-09-04T14:35:57.836409Z","updated_at":"2022-09-04T14:35:57.836435Z","structure_string":"Fe4 O4 F4\n1.0\n0.000000 4.622832 0.022939\n3.058633 0.000000 0.000000\n0.000000 -0.061978 -9.292739\nFe O F\n4 4 4\ndirect\n0.979337 0.000000 0.010212 Fe\n0.972779 0.000000 0.513986 Fe\n0.479704 0.500000 0.718306 Fe\n0.553933 0.500000 0.265288 Fe\n0.794142 0.500000 0.599906 O\n0.811056 0.500000 0.098575 O\n0.720397 0.000000 0.358732 O\n0.282264 0.000000 0.641264 O\n0.685171 0.000000 0.844204 F\n0.317948 0.000000 0.153990 F\n0.196956 0.500000 0.897644 F\n0.206311 0.500000 0.397894 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.592347767665945,"density_atomic":0.09133061853373103,"volume":131.39076678395705,"volume_molar":6.593780767811015,"formula_full":"Fe4 O4 F4","formula_reduced":"FeOF","formula_anonymous":"ABC","energy_above_hull":1.0955730941666666,"spacegroup":6},{"id":"jvasp-74487","created_at":"2022-09-04T14:35:57.837456Z","updated_at":"2022-09-04T14:35:57.837479Z","structure_string":"Sc1 Be2 Te1\n1.0\n-1.890224 1.890224 4.528843\n1.890224 -1.890224 4.528843\n1.890224 1.890224 -4.528843\nSc Be Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Te\n","nsites":4,"nelements":3,"elements":["Sc","Be","Te"],"chemical_system":"Be-Sc-Te","density":4.889373858339438,"density_atomic":0.0617996746176604,"volume":64.72525987793674,"volume_molar":9.744615642812889,"formula_full":"Sc1 Be2 Te1","formula_reduced":"ScBe2Te","formula_anonymous":"ABC2","energy_above_hull":1.801466304166667,"spacegroup":119},{"id":"jvasp-43562","created_at":"2022-09-04T14:35:57.839783Z","updated_at":"2022-09-04T14:35:57.839804Z","structure_string":"Li8 Fe4 O8 F4\n1.0\n5.067367 0.000000 0.119139\n-2.533683 4.231604 -0.059570\n-1.473171 0.000000 9.449930\nLi Fe O F\n8 4 8 4\ndirect\n0.183957 0.865372 0.503002 Li\n0.000000 0.500000 -0.000000 Li\n0.074132 0.148264 0.250000 Li\n0.681417 0.865372 -0.003002 Li\n0.500001 0.500000 0.500000 Li\n0.318584 0.134627 0.003002 Li\n0.925869 0.851735 0.750000 Li\n0.816044 0.134627 0.496998 Li\n0.574782 0.149563 0.750000 Fe\n0.750969 0.501934 0.250000 Fe\n0.249032 0.498065 0.750000 Fe\n0.425219 0.850436 0.250000 Fe\n0.054732 0.813361 0.141441 O\n0.304826 0.829161 0.863552 O\n0.524338 0.829161 0.636448 O\n0.241371 0.186638 0.641441 O\n0.758630 0.813361 0.358559 O\n0.475663 0.170839 0.363552 O\n0.695175 0.170839 0.136448 O\n0.945269 0.186638 0.858559 O\n0.355656 0.503387 0.115877 F\n0.147731 0.503387 0.384123 F\n0.644345 0.496612 0.884123 F\n0.852270 0.496612 0.615877 F\n","nsites":24,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.9427442450149313,"density_atomic":0.11800663099691602,"volume":203.3784016817429,"volume_molar":5.1032223436303195,"formula_full":"Li8 Fe4 O8 F4","formula_reduced":"Li2FeO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.4066287970833335,"spacegroup":15},{"id":"jvasp-71215","created_at":"2022-09-04T14:35:57.840557Z","updated_at":"2022-09-04T14:35:57.840575Z","structure_string":"Be1 Ga1 Sb2\n1.0\n3.638494 -0.000000 -0.000000\n-0.000000 3.638494 0.000000\n0.000000 0.000000 7.059102\nBe Ga Sb\n1 1 2\ndirect\n0.000000 -0.000000 0.525270 Be\n0.500000 0.500000 0.729338 Ga\n0.000000 -0.000000 0.893587 Sb\n0.500000 0.500000 0.351804 Sb\n","nsites":4,"nelements":3,"elements":["Be","Ga","Sb"],"chemical_system":"Be-Ga-Sb","density":5.726064342118118,"density_atomic":0.04280230997926202,"volume":93.45290013408211,"volume_molar":14.069662975941634,"formula_full":"Be1 Ga1 Sb2","formula_reduced":"BeGaSb2","formula_anonymous":"ABC2","energy_above_hull":1.22775015625,"spacegroup":99},{"id":"jvasp-92165","created_at":"2022-09-04T14:35:57.851324Z","updated_at":"2022-09-04T14:35:57.851334Z","structure_string":"Nd4 Bi2 N2\n1.0\n4.733068 -0.000000 -0.000000\n-0.000000 4.733068 0.000000\n-0.000000 0.000000 9.385960\nNd Bi N\n4 2 2\ndirect\n0.750000 0.250000 0.000000 Nd\n0.250000 0.750000 0.000000 Nd\n0.750000 0.750000 0.674908 Nd\n0.250000 0.250000 0.325092 Nd\n0.750000 0.750000 0.306603 Bi\n0.250000 0.250000 0.693397 Bi\n0.750000 0.750000 0.918065 N\n0.250000 0.250000 0.081935 N\n","nsites":8,"nelements":3,"elements":["Nd","Bi","N"],"chemical_system":"Bi-N-Nd","density":8.07859814583378,"density_atomic":0.038047471455961906,"volume":210.2636441756612,"volume_molar":15.827965774204825,"formula_full":"Nd4 Bi2 N2","formula_reduced":"Nd2BiN","formula_anonymous":"ABC2","energy_above_hull":2.0114351375,"spacegroup":129},{"id":"jvasp-63504","created_at":"2022-09-04T14:35:57.852544Z","updated_at":"2022-09-04T14:35:57.852572Z","structure_string":"K1 Au1 F6\n1.0\n3.267770 -3.795391 -0.029738\n3.267775 3.795396 -0.029739\n-1.095692 -0.000001 4.887098\nK Au F\n1 1 6\ndirect\n0.500012 0.500000 0.500000 K\n0.000014 0.000002 0.000002 Au\n0.278607 0.927146 0.278596 F\n0.278608 0.278596 0.927146 F\n0.927157 0.278596 0.278595 F\n0.721415 0.721403 0.072854 F\n0.721416 0.072855 0.721403 F\n0.072866 0.721404 0.721404 F\n","nsites":8,"nelements":3,"elements":["K","Au","F"],"chemical_system":"Au-F-K","density":4.8048860380282825,"density_atomic":0.06612829696829496,"volume":120.97695490079806,"volume_molar":9.106753139109722,"formula_full":"K1 Au1 F6","formula_reduced":"KAuF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-16154","created_at":"2022-09-04T14:35:57.856604Z","updated_at":"2022-09-04T14:35:57.856615Z","structure_string":"Yb2 Cu2 Sb2\n1.0\n2.226709 -3.856774 0.000000\n2.226709 3.856774 -0.000000\n0.000000 0.000000 7.886026\nYb Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n","nsites":6,"nelements":3,"elements":["Yb","Cu","Sb"],"chemical_system":"Cu-Sb-Yb","density":8.786295366263943,"density_atomic":0.044297110172455606,"volume":135.44901634984896,"volume_molar":13.594884037705533,"formula_full":"Yb2 Cu2 Sb2","formula_reduced":"YbCuSb","formula_anonymous":"ABC","energy_above_hull":0.0033099999999999,"spacegroup":194},{"id":"jvasp-96933","created_at":"2022-09-04T14:35:57.857119Z","updated_at":"2022-09-04T14:35:57.857153Z","structure_string":"La12 Ti4 S16 O10\n1.0\n4.021626 0.000000 0.000000\n0.000000 12.623390 -1.518235\n0.000000 -0.022854 16.444456\nLa Ti S O\n12 4 16 10\ndirect\n0.750001 0.320880 0.648066 La\n0.750001 0.269303 0.102815 La\n0.750001 0.998804 0.380405 La\n0.750001 0.384361 0.397516 La\n0.250000 0.068257 0.882619 La\n0.250000 0.001196 0.619596 La\n0.250000 0.730697 0.897185 La\n0.250000 0.679120 0.351935 La\n0.250000 0.395549 0.874030 La\n0.750001 0.931743 0.117381 La\n0.750001 0.604451 0.125970 La\n0.250000 0.615640 0.602484 La\n0.250000 0.153325 0.233534 Ti\n0.250000 0.441584 0.226562 Ti\n0.750001 0.558416 0.773439 Ti\n0.750001 0.846675 0.766467 Ti\n0.750001 0.030683 0.754283 S\n0.750001 0.912965 0.932372 S\n0.250000 0.969318 0.245718 S\n0.750001 0.775168 0.268774 S\n0.250000 0.885606 0.454928 S\n0.750001 0.804618 0.625638 S\n0.750001 0.114394 0.545073 S\n0.750001 0.235990 0.924308 S\n0.250000 0.195382 0.374362 S\n0.250000 0.391558 0.534405 S\n0.750001 0.608442 0.465595 S\n0.250000 0.224833 0.731227 S\n0.250000 0.087035 0.067628 S\n0.250000 0.764010 0.075693 S\n0.750001 0.569182 0.938537 S\n0.250000 0.430819 0.061464 S\n0.250000 0.287614 0.192439 O\n0.750001 0.414828 0.787222 O\n0.750001 0.149757 0.218211 O\n0.250000 0.585173 0.212778 O\n0.250000 0.850243 0.781790 O\n0.750001 0.544373 0.659655 O\n0.750001 0.712386 0.807561 O\n0.750001 0.432958 0.219203 O\n0.250000 0.455627 0.340345 O\n0.250000 0.567042 0.780798 O\n","nsites":42,"nelements":4,"elements":["La","Ti","S","O"],"chemical_system":"La-O-S-Ti","density":5.035930509039959,"density_atomic":0.05031815372842857,"volume":834.6888128423319,"volume_molar":11.968127432699568,"formula_full":"La12 Ti4 S16 O10","formula_reduced":"La6Ti2S8O5","formula_anonymous":"A2B5C6D8","energy_above_hull":2.6554478174603173,"spacegroup":11}]}