{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3455","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3453","results":[{"id":"jvasp-94927","created_at":"2022-09-04T14:35:46.283380Z","updated_at":"2022-09-04T14:35:46.283406Z","structure_string":"Ba3 Sc4\n1.0\n-5.540827 0.000000 1.986086\n-3.126365 4.987098 0.000000\n-5.586116 -0.028391 -6.862267\nBa Sc\n3 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.576230 0.576230 0.271313 Ba\n0.423771 0.423771 0.728687 Ba\n0.850460 0.850459 0.448624 Sc\n0.149542 0.149542 0.551376 Sc\n0.727323 0.727322 0.818035 Sc\n0.272679 0.272679 0.181965 Sc\n","nsites":7,"nelements":2,"elements":["Ba","Sc"],"chemical_system":"Ba-Sc","density":4.008981456940602,"density_atomic":0.028556476380341905,"volume":245.1282821720524,"volume_molar":21.08852884995854,"formula_full":"Ba3 Sc4","formula_reduced":"Ba3Sc4","formula_anonymous":"A3B4","energy_above_hull":1.63353413,"spacegroup":166},{"id":"jvasp-36308","created_at":"2022-09-04T14:37:12.492076Z","updated_at":"2022-09-04T14:37:12.492091Z","structure_string":"Be2 Si2 As4\n1.0\n5.370612 0.000000 -0.000000\n0.000000 5.370612 -0.000000\n-2.685307 -2.685307 5.369180\nBe Si As\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.500000 Si\n0.125000 0.604288 0.750000 As\n0.395711 0.375000 0.250000 As\n0.854288 0.874999 0.250000 As\n0.624999 0.145711 0.750000 As\n","nsites":8,"nelements":3,"elements":["Be","Si","As"],"chemical_system":"As-Be-Si","density":4.00892434932962,"density_atomic":0.051657628824491056,"volume":154.86579972883257,"volume_molar":11.657795560962494,"formula_full":"Be2 Si2 As4","formula_reduced":"BeSiAs2","formula_anonymous":"ABC2","energy_above_hull":2.33892705,"spacegroup":122},{"id":"jvasp-11366","created_at":"2022-09-04T14:37:03.751567Z","updated_at":"2022-09-04T14:37:03.751594Z","structure_string":"Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n","nsites":14,"nelements":3,"elements":["Rb","Al","O"],"chemical_system":"Al-O-Rb","density":4.008799826596408,"density_atomic":0.05099562355928202,"volume":274.5333623330462,"volume_molar":11.809132509183474,"formula_full":"Rb6 Al2 O6","formula_reduced":"Rb3AlO3","formula_anonymous":"AB3C3","energy_above_hull":0.6880761857142857,"spacegroup":12},{"id":"jvasp-122525","created_at":"2022-09-04T14:38:53.502879Z","updated_at":"2022-09-04T14:38:53.502899Z","structure_string":"Ti2 V2 O8\n1.0\n3.776942 0.000030 0.013331\n-0.000087 9.454778 -0.000084\n-0.013504 0.000032 3.776982\nTi V O\n2 2 8\ndirect\n0.000001 0.750002 0.500000 Ti\n0.500001 0.250004 -0.000000 Ti\n0.499998 0.499996 0.500000 V\n0.999998 0.000000 0.000001 V\n-0.000001 0.963348 0.500001 O\n0.499999 0.463338 0.000000 O\n-0.000000 0.536660 0.500000 O\n0.500000 0.036650 0.000000 O\n0.500000 0.293737 0.499999 O\n-0.000000 0.793740 0.000001 O\n0.000000 0.206260 -0.000001 O\n0.500000 0.706263 0.500000 O\n","nsites":12,"nelements":3,"elements":["Ti","V","O"],"chemical_system":"O-Ti-V","density":4.008738422812374,"density_atomic":0.08896910027525697,"volume":134.87828878648668,"volume_molar":6.7688003378346036,"formula_full":"Ti2 V2 O8","formula_reduced":"TiVO4","formula_anonymous":"ABC4","energy_above_hull":2.8199260888888897,"spacegroup":119},{"id":"jvasp-57079","created_at":"2022-09-04T14:37:42.565155Z","updated_at":"2022-09-04T14:37:42.565188Z","structure_string":"Rb2 Na1 Cr1 F6\n1.0\n5.154460 0.000000 2.975929\n1.718153 4.859673 2.975929\n0.000000 0.000000 5.951859\nRb Na Cr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Cr\n0.229594 0.770405 0.770406 F\n0.229594 0.770405 0.229596 F\n0.770405 0.229595 0.770406 F\n0.229595 0.229595 0.770405 F\n0.770405 0.229595 0.229595 F\n0.770405 0.770405 0.229596 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Cr","F"],"chemical_system":"Cr-F-Na-Rb","density":4.008689648989634,"density_atomic":0.0670744538049752,"volume":149.08805711748124,"volume_molar":8.97829265596392,"formula_full":"Rb2 Na1 Cr1 F6","formula_reduced":"Rb2NaCrF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-95639","created_at":"2022-09-04T14:36:34.344531Z","updated_at":"2022-09-04T14:36:34.344548Z","structure_string":"Na10 Ta2 O10\n1.0\n5.941800 0.015872 -0.910814\n-2.878559 5.197994 -0.910814\n0.001076 0.001830 10.067998\nNa Ta O\n10 2 10\ndirect\n0.990923 0.675645 0.920962 Na\n0.009077 0.324354 0.079039 Na\n0.675645 0.990922 0.420962 Na\n0.331035 0.668964 0.750000 Na\n0.668965 0.331034 0.250000 Na\n0.554703 0.785361 0.048936 Na\n0.214639 0.445297 0.451065 Na\n0.445297 0.214638 0.951065 Na\n0.785361 0.554702 0.548936 Na\n0.324355 0.009077 0.579039 Na\n0.908249 0.091751 0.750001 Ta\n0.091751 0.908248 0.250000 Ta\n0.697648 0.037868 0.882598 O\n0.962132 0.302352 0.617403 O\n0.596014 0.809935 0.604645 O\n0.190064 0.403985 0.895356 O\n0.403986 0.190064 0.395356 O\n0.809936 0.596013 0.104645 O\n0.302352 0.962131 0.117403 O\n0.037868 0.697647 0.382598 O\n0.094824 0.905176 0.750000 O\n0.905176 0.094823 0.250000 O\n","nsites":22,"nelements":3,"elements":["Na","Ta","O"],"chemical_system":"Na-O-Ta","density":4.008461252719012,"density_atomic":0.07064089615927177,"volume":311.434327650619,"volume_molar":8.525006175490853,"formula_full":"Na10 Ta2 O10","formula_reduced":"Na5TaO5","formula_anonymous":"AB5C5","energy_above_hull":1.4753801545454548,"spacegroup":15},{"id":"jvasp-38019","created_at":"2022-09-04T14:38:06.425497Z","updated_at":"2022-09-04T14:38:06.425525Z","structure_string":"Al2 Cu1\n1.0\n0.000000 4.098680 0.000000\n2.897805 -2.049340 2.049340\n0.000000 0.000000 -4.098680\nAl Cu\n2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.250000 0.500001 0.750000 Cu\n","nsites":3,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":4.008328721563757,"density_atomic":0.06162601313139138,"volume":48.680741257815434,"volume_molar":9.7720758718568,"formula_full":"Al2 Cu1","formula_reduced":"Al2Cu","formula_anonymous":"AB2","energy_above_hull":0.7957786833333333,"spacegroup":225},{"id":"jvasp-92980","created_at":"2022-09-04T14:35:41.337984Z","updated_at":"2022-09-04T14:35:41.338003Z","structure_string":"Co1 Cu2 Si1 S4\n1.0\n5.200754 0.000000 0.000000\n0.000000 5.200754 0.000000\n-2.600377 -2.600377 5.244194\nCo Cu Si S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Si\n0.861191 0.861191 0.239251 S\n0.378059 0.378059 0.239251 S\n0.138807 0.621939 0.760748 S\n0.621939 0.138807 0.760748 S\n","nsites":8,"nelements":4,"elements":["Co","Cu","Si","S"],"chemical_system":"Co-Cu-S-Si","density":4.008060875280323,"density_atomic":0.05639993638807944,"volume":141.8441316130786,"volume_molar":10.677566581924063,"formula_full":"Co1 Cu2 Si1 S4","formula_reduced":"CoCu2SiS4","formula_anonymous":"ABC2D4","energy_above_hull":1.8592063,"spacegroup":121},{"id":"jvasp-16652","created_at":"2022-09-04T14:37:57.470004Z","updated_at":"2022-09-04T14:37:57.470021Z","structure_string":"Co1 Si1 Cu2 S4\n1.0\n4.734308 -0.000000 -2.151971\n-0.978174 4.632154 -2.151971\n0.055151 0.068014 6.405027\nCo Si Cu S\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.500000 0.000000 Si\n0.750000 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.138810 0.621944 0.760755 S\n0.621945 0.138809 0.760755 S\n0.861192 0.861190 0.239246 S\n0.378055 0.378054 0.239246 S\n","nsites":8,"nelements":4,"elements":["Co","Si","Cu","S"],"chemical_system":"Co-Cu-S-Si","density":4.007940707810049,"density_atomic":0.05639824543629744,"volume":141.84838443309562,"volume_molar":10.677886720433683,"formula_full":"Co1 Si1 Cu2 S4","formula_reduced":"CoCu2SiS4","formula_anonymous":"ABC2D4","energy_above_hull":1.8592088,"spacegroup":121},{"id":"jvasp-119526","created_at":"2022-09-04T14:38:34.896748Z","updated_at":"2022-09-04T14:38:34.896760Z","structure_string":"Cr2 Sb2 P4 O16\n1.0\n10.853480 -0.000772 -1.322618\n0.000403 5.771929 -0.000059\n-0.131450 0.000072 4.826818\nCr Sb P O\n2 2 4 16\ndirect\n0.198694 0.750001 0.434705 Cr\n0.801305 0.249999 0.565294 Cr\n0.265614 0.250001 0.978924 Sb\n0.734385 0.749999 0.021076 Sb\n0.066277 0.249999 0.377510 P\n0.377019 0.750002 0.900814 P\n0.622981 0.249997 0.099185 P\n0.933723 0.750001 0.622489 P\n0.876062 0.964450 0.757641 O\n0.876063 0.535549 0.757641 O\n0.690106 0.457154 0.288252 O\n0.690106 0.042843 0.288252 O\n0.669552 0.249998 0.814937 O\n0.513777 0.750001 0.909567 O\n0.486223 0.249999 0.090433 O\n0.123937 0.464452 0.242358 O\n0.309893 0.542846 0.711747 O\n0.309893 0.957158 0.711747 O\n0.894668 0.750000 0.302200 O\n0.123937 0.035549 0.242359 O\n0.105332 0.250000 0.697802 O\n0.074726 0.750002 0.685642 O\n0.330448 0.750001 0.185064 O\n0.925273 0.249999 0.314358 O\n","nsites":24,"nelements":4,"elements":["Cr","Sb","P","O"],"chemical_system":"Cr-O-P-Sb","density":4.007871178327353,"density_atomic":0.07963500390809704,"volume":301.3750087549095,"volume_molar":7.562178017784572,"formula_full":"Cr2 Sb2 P4 O16","formula_reduced":"CrSb(PO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.047381875,"spacegroup":11},{"id":"jvasp-113570","created_at":"2022-09-04T14:38:48.006218Z","updated_at":"2022-09-04T14:38:48.006234Z","structure_string":"Ca1 Zr1 S1\n1.0\n4.890955 0.000000 -0.000000\n-2.445477 4.235691 0.000000\n0.000000 0.000000 3.267346\nCa Zr S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666666 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 S\n","nsites":3,"nelements":3,"elements":["Ca","Zr","S"],"chemical_system":"Ca-S-Zr","density":4.007747640272027,"density_atomic":0.04432086118117479,"volume":67.68821543734455,"volume_molar":13.587598705229796,"formula_full":"Ca1 Zr1 S1","formula_reduced":"CaZrS","formula_anonymous":"ABC","energy_above_hull":1.6985783066666666,"spacegroup":187},{"id":"jvasp-120591","created_at":"2022-09-04T14:38:51.522193Z","updated_at":"2022-09-04T14:38:51.522220Z","structure_string":"Li3 Fe3 O8\n1.0\n4.949538 0.045802 2.981427\n1.706825 4.646157 2.981427\n0.064978 0.045802 5.777769\nLi Fe O\n3 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.379216 0.379216 0.379216 Li\n0.620784 0.620784 0.620785 Li\n-0.000001 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.249196 0.249196 0.789809 O\n0.789809 0.249196 0.249197 O\n0.249195 0.789809 0.249197 O\n0.761705 0.761705 0.761706 O\n0.750804 0.750804 0.210192 O\n0.210191 0.750804 0.750805 O\n0.750804 0.210191 0.750805 O\n0.238295 0.238295 0.238295 O\n","nsites":14,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.007550460681261,"density_atomic":0.10680355431685802,"volume":131.08177990468076,"volume_molar":5.638520926123764,"formula_full":"Li3 Fe3 O8","formula_reduced":"Li3Fe3O8","formula_anonymous":"A3B3C8","energy_above_hull":2.6733074642857138,"spacegroup":166}]}