{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=501","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=499","results":[{"id":"jvasp-49726","created_at":"2022-09-04T14:37:20.197305Z","updated_at":"2022-09-04T14:37:20.197325Z","structure_string":"Ca6 Fe2 Rh2 O12\n1.0\n6.409717 0.001523 -0.181481\n-0.186736 6.406996 -0.181481\n0.001479 0.001523 6.412286\nCa Fe Rh O\n6 2 2 12\ndirect\n0.618827 0.881173 0.250000 Ca\n0.250000 0.618827 0.881174 Ca\n0.881173 0.249999 0.618828 Ca\n0.381173 0.118826 0.750001 Ca\n0.118826 0.750000 0.381174 Ca\n0.750000 0.381173 0.118827 Ca\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.960500 0.097437 0.299428 O\n0.539500 0.200572 0.402563 O\n0.402562 0.539500 0.200572 O\n0.200572 0.402562 0.539500 O\n0.700572 0.039499 0.902563 O\n0.799428 0.597438 0.460501 O\n0.039499 0.902562 0.700573 O\n0.460500 0.799428 0.597439 O\n0.597438 0.460500 0.799429 O\n0.299427 0.960500 0.097438 O\n0.902562 0.700572 0.039500 O\n0.097438 0.299428 0.960501 O\n","nsites":22,"nelements":4,"elements":["Ca","Fe","Rh","O"],"chemical_system":"Ca-Fe-O-Rh","density":4.729042291662994,"density_atomic":0.0835425329270162,"volume":263.3389152710928,"volume_molar":7.208472797037428,"formula_full":"Ca6 Fe2 Rh2 O12","formula_reduced":"Ca3FeRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.931172796363636,"spacegroup":167},{"id":"jvasp-57826","created_at":"2022-09-04T14:37:08.744040Z","updated_at":"2022-09-04T14:37:08.744062Z","structure_string":"Ca6 Cu2 Rh2 O12\n1.0\n6.477633 0.007741 -0.082879\n-0.147145 6.475966 -0.082879\n0.048371 0.049542 6.435624\nCa Cu Rh O\n6 2 2 12\ndirect\n0.614186 0.761763 0.876254 Ca\n0.761763 0.614186 0.376254 Ca\n0.100632 0.899369 0.749999 Ca\n0.385814 0.238237 0.123745 Ca\n0.899368 0.100631 0.250000 Ca\n0.238237 0.385814 0.623745 Ca\n0.307293 0.692707 0.250000 Cu\n0.692707 0.307293 0.749999 Cu\n0.500000 -0.000000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n0.603270 0.292579 0.455111 O\n0.530098 0.896920 0.206250 O\n0.208506 0.077413 0.432784 O\n0.103080 0.469902 0.293749 O\n0.396730 0.707422 0.544888 O\n0.791494 0.922588 0.567215 O\n0.077413 0.208506 0.932783 O\n0.922587 0.791494 0.067216 O\n0.469902 0.103080 0.793749 O\n0.292579 0.603270 0.955111 O\n0.707421 0.396730 0.044889 O\n0.896920 0.530098 0.706250 O\n","nsites":22,"nelements":4,"elements":["Ca","Cu","Rh","O"],"chemical_system":"Ca-Cu-O-Rh","density":4.706609843086591,"density_atomic":0.08147302939070387,"volume":270.02801006083877,"volume_molar":7.391575844223032,"formula_full":"Ca6 Cu2 Rh2 O12","formula_reduced":"Ca3CuRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.5206914281818178,"spacegroup":15},{"id":"jvasp-21125","created_at":"2022-09-04T14:37:05.868421Z","updated_at":"2022-09-04T14:37:05.868452Z","structure_string":"Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n","nsites":22,"nelements":4,"elements":["Sr","Li","Ir","O"],"chemical_system":"Ir-Li-O-Sr","density":6.123754290068519,"density_atomic":0.07269690774988935,"volume":302.6263520821281,"volume_molar":8.283902226926795,"formula_full":"Sr6 Li2 Ir2 O12","formula_reduced":"Sr3LiIrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.774757366363636,"spacegroup":167},{"id":"jvasp-25848","created_at":"2022-09-04T14:37:53.390342Z","updated_at":"2022-09-04T14:37:53.390365Z","structure_string":"Ba6 Na2 Bi2 O12\n1.0\n7.319448 -0.007560 -0.236069\n-0.243561 7.315398 -0.236069\n-0.007320 -0.007560 7.323250\nBa Na Bi O\n6 2 2 12\ndirect\n0.897637 0.250000 0.602363 Ba\n0.102364 0.750000 0.397636 Ba\n0.602364 0.897637 0.250000 Ba\n0.750000 0.397637 0.102363 Ba\n0.397637 0.102363 0.750000 Ba\n0.250000 0.602364 0.897636 Ba\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.417700 0.551592 0.218868 O\n0.551592 0.218868 0.417700 O\n0.281133 0.948408 0.082300 O\n0.082300 0.281132 0.948408 O\n0.781133 0.582300 0.448408 O\n0.917700 0.718868 0.051592 O\n0.051592 0.917700 0.718868 O\n0.948408 0.082300 0.281132 O\n0.718868 0.051592 0.917700 O\n0.218868 0.417700 0.551592 O\n0.582300 0.448408 0.781132 O\n0.448408 0.781133 0.582300 O\n","nsites":22,"nelements":4,"elements":["Ba","Na","Bi","O"],"chemical_system":"Ba-Bi-Na-O","density":6.26763638689469,"density_atomic":0.056110796423810505,"volume":392.0814068264471,"volume_molar":10.732588278580407,"formula_full":"Ba6 Na2 Bi2 O12","formula_reduced":"Ba3NaBiO6","formula_anonymous":"ABC3D6","energy_above_hull":1.3245502009090906,"spacegroup":167},{"id":"jvasp-52495","created_at":"2022-09-04T14:37:45.436049Z","updated_at":"2022-09-04T14:37:45.436066Z","structure_string":"K3 Na1 Fe1 Cl6\n1.0\n3.778288 3.895488 4.020192\n-0.497297 8.539965 -0.243831\n-0.497297 -0.512722 8.528046\nK Na Fe Cl\n3 1 1 6\ndirect\n-0.000001 0.500000 0.500001 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Fe\n0.090664 0.721669 0.721669 Cl\n0.465998 0.000000 0.721669 Cl\n0.465998 0.721668 0.000000 Cl\n0.534002 0.000000 0.278331 Cl\n0.534002 0.278331 -0.000000 Cl\n0.909335 0.278332 0.278331 Cl\n","nsites":11,"nelements":4,"elements":["K","Na","Fe","Cl"],"chemical_system":"Cl-Fe-K-Na","density":2.1915173410205253,"density_atomic":0.03550806227353547,"volume":309.7887999424405,"volume_molar":16.95992508295324,"formula_full":"K3 Na1 Fe1 Cl6","formula_reduced":"K3NaFeCl6","formula_anonymous":"ABC3D6","energy_above_hull":0.0060963636363631,"spacegroup":166},{"id":"jvasp-25788","created_at":"2022-09-04T14:37:38.416250Z","updated_at":"2022-09-04T14:37:38.416270Z","structure_string":"As4 S4 Cl12 F24\n1.0\n7.705037 0.000000 0.000000\n0.000000 8.512965 0.000000\n0.000000 0.000000 12.061162\nAs S Cl F\n4 4 12 24\ndirect\n0.301974 0.532211 0.684597 As\n0.698026 0.032211 0.815402 As\n0.801975 0.967788 0.315402 As\n0.198026 0.467789 0.184598 As\n0.151793 0.021975 0.024572 S\n0.348207 0.978025 0.524572 S\n0.848207 0.521974 0.475428 S\n0.651793 0.478025 0.975428 S\n0.213745 0.174308 0.905822 Cl\n0.343632 0.183262 0.444221 Cl\n0.865386 0.492111 0.879981 Cl\n0.656368 0.683262 0.055778 Cl\n0.634614 0.507888 0.379981 Cl\n0.286255 0.825692 0.405823 Cl\n0.786255 0.674307 0.594177 Cl\n0.365386 0.007888 0.120018 Cl\n0.134614 0.992111 0.620018 Cl\n0.843633 0.316737 0.555778 Cl\n0.156368 0.816737 0.944221 Cl\n0.713746 0.325692 0.094177 Cl\n0.701497 0.148996 0.280562 F\n0.880219 0.133831 0.759785 F\n0.902586 0.958773 0.183578 F\n0.402585 0.541227 0.816421 F\n0.298503 0.648995 0.219438 F\n0.481666 0.430645 0.629357 F\n0.697102 0.972288 0.447128 F\n0.018334 0.569355 0.129357 F\n0.097415 0.458773 0.316422 F\n0.600570 0.215211 0.851174 F\n0.802898 0.027711 0.947127 F\n0.798503 0.851004 0.780562 F\n0.597415 0.041227 0.683578 F\n0.899430 0.784789 0.351174 F\n0.380219 0.366169 0.240215 F\n0.619781 0.866169 0.259785 F\n0.119781 0.633831 0.740215 F\n0.518334 0.930644 0.870643 F\n0.302898 0.472288 0.052872 F\n0.201497 0.351004 0.719438 F\n0.981667 0.069355 0.370643 F\n0.197102 0.527711 0.552872 F\n0.399430 0.715210 0.648825 F\n0.100570 0.284789 0.148825 F\n","nsites":44,"nelements":4,"elements":["As","S","Cl","F"],"chemical_system":"As-Cl-F-S","density":2.748262159808626,"density_atomic":0.05561704996507605,"volume":791.1243050041163,"volume_molar":10.827868007709,"formula_full":"As4 S4 Cl12 F24","formula_reduced":"AsS(ClF2)3","formula_anonymous":"ABC3D6","energy_above_hull":0.2676796043181819,"spacegroup":19},{"id":"jvasp-22143","created_at":"2022-09-04T14:37:44.729725Z","updated_at":"2022-09-04T14:37:44.729750Z","structure_string":"Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n","nsites":22,"nelements":4,"elements":["Sr","Cd","Ir","O"],"chemical_system":"Cd-Ir-O-Sr","density":6.9241794563212355,"density_atomic":0.06913232878220572,"volume":318.23027500359103,"volume_molar":8.711034137114249,"formula_full":"Sr6 Cd2 Ir2 O12","formula_reduced":"Sr3CdIrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.5032255254545452,"spacegroup":167},{"id":"jvasp-95400","created_at":"2022-09-04T14:35:50.563660Z","updated_at":"2022-09-04T14:35:50.563682Z","structure_string":"Ca6 Cu2 Ir2 O12\n1.0\n6.485294 0.054493 -0.053550\n-0.056237 6.500554 -0.148005\n0.052963 0.039490 6.502146\nCa Cu Ir O\n6 2 2 12\ndirect\n0.749999 0.599347 0.400653 Ca\n0.249999 0.400652 0.599349 Ca\n0.618686 0.740838 0.888972 Ca\n0.881312 0.111028 0.259161 Ca\n0.381312 0.259160 0.111029 Ca\n0.118686 0.888971 0.740840 Ca\n0.249999 0.805871 0.194129 Cu\n0.749999 0.194128 0.805872 Cu\n-0.000000 0.500000 0.000000 Ir\n0.499999 -0.000000 0.500000 Ir\n0.067084 0.425878 0.292211 O\n0.432914 0.707789 0.574122 O\n0.706404 0.402310 0.035782 O\n0.793594 0.964218 0.597691 O\n0.293594 0.597689 0.964220 O\n0.546540 0.904760 0.205895 O\n0.046540 0.205894 0.904762 O\n0.453459 0.095238 0.794106 O\n0.953459 0.794105 0.095239 O\n0.567084 0.292210 0.425879 O\n0.206405 0.035781 0.402310 O\n0.932914 0.574121 0.707790 O\n","nsites":22,"nelements":4,"elements":["Ca","Cu","Ir","O"],"chemical_system":"Ca-Cu-Ir-O","density":5.716864971827528,"density_atomic":0.08023532137519705,"volume":274.1934552380419,"volume_molar":7.505598104155672,"formula_full":"Ca6 Cu2 Ir2 O12","formula_reduced":"Ca3CuIrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.7139648918181818,"spacegroup":15},{"id":"jvasp-88027","created_at":"2022-09-04T14:35:56.713722Z","updated_at":"2022-09-04T14:35:56.713743Z","structure_string":"Sr6 Cu2 Ir2 O12\n1.0\n6.742267 0.043354 -0.133473\n-0.140490 6.759185 -0.251228\n0.041571 0.046502 6.765024\nSr Cu Ir O\n6 2 2 12\ndirect\n0.750000 0.603280 0.396719 Sr\n0.250000 0.396719 0.603280 Sr\n0.618970 0.743139 0.890333 Sr\n0.881031 0.109665 0.256860 Sr\n0.381030 0.256860 0.109666 Sr\n0.118970 0.890333 0.743139 Sr\n0.250000 0.803682 0.196317 Cu\n0.750000 0.196316 0.803682 Cu\n0.000000 0.500000 -0.000000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.073344 0.432617 0.280191 O\n0.426656 0.719807 0.567382 O\n0.717227 0.399860 0.035311 O\n0.782773 0.964688 0.600139 O\n0.282773 0.600138 0.964689 O\n0.539266 0.902319 0.216233 O\n0.039266 0.216232 0.902319 O\n0.460734 0.097680 0.783767 O\n0.960734 0.783766 0.097680 O\n0.573345 0.280191 0.432618 O\n0.217227 0.035310 0.399861 O\n0.926656 0.567381 0.719808 O\n","nsites":22,"nelements":4,"elements":["Sr","Cu","Ir","O"],"chemical_system":"Cu-Ir-O-Sr","density":6.617491128918842,"density_atomic":0.07132317882772594,"volume":308.4551244293081,"volume_molar":8.44345535207549,"formula_full":"Sr6 Cu2 Ir2 O12","formula_reduced":"Sr3CuIrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6746746799999996,"spacegroup":15},{"id":"jvasp-49157","created_at":"2022-09-04T14:38:31.060222Z","updated_at":"2022-09-04T14:38:31.060245Z","structure_string":"Na2 Sr6 Ta2 O12\n1.0\n6.874179 -0.003676 -0.149777\n-0.152995 6.872477 -0.149777\n-0.003597 -0.003676 6.875809\nNa Sr Ta O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.749999 0.749999 Na\n0.249999 0.898732 0.601267 Sr\n0.601267 0.249999 0.898732 Sr\n0.898732 0.601267 0.249999 Sr\n0.750000 0.101267 0.398732 Sr\n0.398732 0.750000 0.101267 Sr\n0.101267 0.398732 0.750000 Sr\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.426048 0.220614 0.554046 O\n0.720613 0.926048 0.054045 O\n0.945954 0.279385 0.073951 O\n0.073951 0.945954 0.279385 O\n0.279385 0.073951 0.945954 O\n0.779385 0.445953 0.573951 O\n0.573951 0.779386 0.445953 O\n0.445953 0.573951 0.779385 O\n0.054045 0.720614 0.926048 O\n0.926048 0.054045 0.720614 O\n0.554046 0.426048 0.220614 O\n0.220613 0.554046 0.426048 O\n","nsites":22,"nelements":4,"elements":["Na","Sr","Ta","O"],"chemical_system":"Na-O-Sr-Ta","density":5.754213214957167,"density_atomic":0.06772983865023954,"volume":324.81990860201455,"volume_molar":8.891414596598484,"formula_full":"Na2 Sr6 Ta2 O12","formula_reduced":"NaSr3TaO6","formula_anonymous":"ABC3D6","energy_above_hull":1.7887580118181818,"spacegroup":167},{"id":"jvasp-33069","created_at":"2022-09-04T14:37:00.856163Z","updated_at":"2022-09-04T14:37:00.856185Z","structure_string":"Sb4 H12 O4 F24\n1.0\n-5.045475 5.045475 5.045475\n5.045475 -5.045475 5.045475\n5.045475 5.045475 -5.045475\nSb H O F\n4 12 4 24\ndirect\n0.500000 0.000000 0.003780 Sb\n0.000000 0.003780 0.500000 Sb\n0.003780 0.500000 0.000000 Sb\n0.496220 0.496220 0.496220 Sb\n0.001699 0.973160 0.872234 H\n0.973160 0.872234 0.001699 H\n0.627765 0.600926 0.129464 H\n0.498300 0.370535 0.971462 H\n0.526838 0.528537 0.899073 H\n0.872234 0.001699 0.973160 H\n0.899073 0.526838 0.528537 H\n0.129464 0.627765 0.600926 H\n0.528537 0.899073 0.526838 H\n0.600926 0.129464 0.627765 H\n0.370535 0.971462 0.498300 H\n0.971462 0.498300 0.370535 H\n0.500000 0.000000 0.521430 O\n0.000000 0.521430 0.500000 O\n0.521430 0.500000 0.000000 O\n0.978569 0.978569 0.978569 O\n0.459675 0.161914 0.906198 F\n0.702238 0.040324 0.946522 F\n0.161914 0.906198 0.459675 F\n0.040324 0.946522 0.702238 F\n0.553476 0.593801 0.755715 F\n0.946522 0.702238 0.040324 F\n0.744284 0.338086 0.797761 F\n0.906198 0.459675 0.161914 F\n0.338086 0.797761 0.744284 F\n0.797761 0.744284 0.338086 F\n0.417574 0.250979 0.461893 F\n0.544319 0.833404 0.082426 F\n0.461893 0.417574 0.250979 F\n0.082426 0.544319 0.833404 F\n0.249021 0.666594 0.210912 F\n0.038106 0.289087 0.955679 F\n0.210912 0.249021 0.666594 F\n0.955679 0.038106 0.289087 F\n0.833404 0.082426 0.544319 F\n0.289087 0.955679 0.038106 F\n0.755715 0.553476 0.593801 F\n0.666594 0.210912 0.249021 F\n0.250979 0.461893 0.417574 F\n0.593801 0.755715 0.553476 F\n","nsites":44,"nelements":4,"elements":["Sb","H","O","F"],"chemical_system":"F-H-O-Sb","density":3.293801418400856,"density_atomic":0.08564194251360233,"volume":513.766954702266,"volume_molar":7.0317657251217955,"formula_full":"Sb4 H12 O4 F24","formula_reduced":"SbH3OF6","formula_anonymous":"ABC3D6","energy_above_hull":1.0223364813636362,"spacegroup":199},{"id":"jvasp-121322","created_at":"2022-09-04T14:38:54.073910Z","updated_at":"2022-09-04T14:38:54.073936Z","structure_string":"Ba6 U2 Ag2 S12\n1.0\n8.471208 0.004042 -0.395119\n-0.414166 8.461078 -0.395119\n0.003847 0.004042 8.480416\nBa U Ag S\n6 2 2 12\ndirect\n0.375455 0.124545 0.750000 Ba\n0.750000 0.375455 0.124545 Ba\n0.124545 0.750000 0.375455 Ba\n0.250000 0.624545 0.875455 Ba\n0.875455 0.250000 0.624545 Ba\n0.624545 0.875455 0.250000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.951617 0.083832 0.295309 S\n0.583832 0.451617 0.795309 S\n0.451617 0.795309 0.583832 S\n0.795309 0.583832 0.451617 S\n0.916168 0.704691 0.048383 S\n0.204692 0.416168 0.548383 S\n0.048383 0.916168 0.704692 S\n0.416168 0.548383 0.204691 S\n0.548383 0.204691 0.416168 S\n0.295308 0.951617 0.083832 S\n0.704692 0.048383 0.916169 S\n0.083832 0.295308 0.951618 S\n","nsites":22,"nelements":4,"elements":["Ba","U","Ag","S"],"chemical_system":"Ag-Ba-S-U","density":5.191675997763493,"density_atomic":0.03619136920696485,"volume":607.8797371326368,"volume_molar":16.639715191656993,"formula_full":"Ba6 U2 Ag2 S12","formula_reduced":"Ba3UAgS6","formula_anonymous":"ABC3D6","energy_above_hull":1.6316219245454542,"spacegroup":167}]}