{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=509","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=507","results":[{"id":"jvasp-107808","created_at":"2022-09-04T14:36:34.558340Z","updated_at":"2022-09-04T14:36:34.558368Z","structure_string":"K2 Tl1 As1 Br6\n1.0\n6.970426 -0.000000 4.024377\n2.323475 6.571781 4.024377\n-0.000000 -0.000000 8.048755\nK Tl As Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766396 0.233605 0.233605 Br\n0.233605 0.233605 0.766395 Br\n0.233606 0.766395 0.766395 Br\n0.233606 0.766395 0.233605 Br\n0.766396 0.233605 0.766395 Br\n0.766396 0.766395 0.233605 Br\n","nsites":10,"nelements":4,"elements":["K","Tl","As","Br"],"chemical_system":"As-Br-K-Tl","density":3.769335429338987,"density_atomic":0.027122448216691766,"volume":368.69827974621313,"volume_molar":22.20352938601553,"formula_full":"K2 Tl1 As1 Br6","formula_reduced":"K2TlAsBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110354","created_at":"2022-09-04T14:38:37.278079Z","updated_at":"2022-09-04T14:38:37.278101Z","structure_string":"K2 Tl1 Ag1 I6\n1.0\n7.284119 -0.000000 4.205488\n2.428040 6.867533 4.205488\n-0.000000 -0.000000 8.410976\nK Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.743151 0.256849 0.256850 I\n0.256849 0.256849 0.743151 I\n0.256850 0.743150 0.743151 I\n0.256850 0.743150 0.256850 I\n0.743151 0.256849 0.743151 I\n0.743151 0.743150 0.256850 I\n","nsites":10,"nelements":4,"elements":["K","Tl","Ag","I"],"chemical_system":"Ag-I-K-Tl","density":4.546008452897118,"density_atomic":0.023767079509776183,"volume":420.75005454021687,"volume_molar":25.338160532188628,"formula_full":"K2 Tl1 Ag1 I6","formula_reduced":"K2TlAgI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110359","created_at":"2022-09-04T14:38:38.274555Z","updated_at":"2022-09-04T14:38:38.274570Z","structure_string":"K2 Tl1 Ag1 F6\n1.0\n5.528553 0.000000 3.191911\n1.842851 5.212370 3.191911\n0.000000 0.000000 6.383824\nK Tl Ag F\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.755650 0.244350 0.244350 F\n0.244350 0.244350 0.755650 F\n0.244350 0.755650 0.755650 F\n0.244350 0.755650 0.244350 F\n0.755650 0.244350 0.755650 F\n0.755650 0.755650 0.244350 F\n","nsites":10,"nelements":4,"elements":["K","Tl","Ag","F"],"chemical_system":"Ag-F-K-Tl","density":4.553336226483768,"density_atomic":0.05435911543086725,"volume":183.96178673506532,"volume_molar":11.078437741796641,"formula_full":"K2 Tl1 Ag1 F6","formula_reduced":"K2TlAgF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-109844","created_at":"2022-09-04T14:38:00.458537Z","updated_at":"2022-09-04T14:38:00.458558Z","structure_string":"K2 Tl1 Ag1 Cl6\n1.0\n6.421143 -0.000000 3.707249\n2.140381 6.053912 3.707249\n0.000000 -0.000000 7.414497\nK Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Ag\n0.748428 0.251571 0.251572 Cl\n0.251571 0.251571 0.748429 Cl\n0.251571 0.748428 0.748429 Cl\n0.251571 0.748428 0.251572 Cl\n0.748428 0.251571 0.748429 Cl\n0.748428 0.748428 0.251572 Cl\n","nsites":10,"nelements":4,"elements":["K","Tl","Ag","Cl"],"chemical_system":"Ag-Cl-K-Tl","density":3.475008592614923,"density_atomic":0.034695237172925476,"volume":288.22399887796496,"volume_molar":17.357254916531872,"formula_full":"K2 Tl1 Ag1 Cl6","formula_reduced":"K2TlAgCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-25792","created_at":"2022-09-04T14:38:14.907220Z","updated_at":"2022-09-04T14:38:14.907243Z","structure_string":"K4 Ti2 Si6 O18\n1.0\n7.572172 -0.019698 1.002666\n0.876080 7.521347 1.002666\n-0.022184 -0.019698 7.638236\nK Ti Si O\n4 2 6 18\ndirect\n0.774899 0.222247 0.991061 K\n0.991059 0.774899 0.222248 K\n0.222247 0.991060 0.774900 K\n0.501133 0.501133 0.501134 K\n0.219052 0.219052 0.219052 Ti\n0.740406 0.740406 0.740407 Ti\n0.441840 0.542382 0.018821 Si\n0.018821 0.441840 0.542382 Si\n0.542382 0.018820 0.441840 Si\n0.887929 0.101373 0.511287 Si\n0.511286 0.887929 0.101374 Si\n0.101374 0.511286 0.887929 Si\n0.246853 0.627945 0.949528 O\n0.005719 0.105046 0.317523 O\n0.430858 0.343947 0.120532 O\n0.120532 0.430858 0.343947 O\n0.676066 0.162145 0.479887 O\n0.550916 0.846656 0.590745 O\n0.631856 0.906362 0.911308 O\n0.590744 0.550916 0.846656 O\n0.479887 0.676066 0.162146 O\n0.911307 0.631855 0.906363 O\n0.846656 0.590744 0.550917 O\n0.627945 0.949527 0.246853 O\n0.949527 0.246852 0.627946 O\n0.343947 0.120531 0.430858 O\n0.162146 0.479887 0.676067 O\n0.105046 0.317523 0.005720 O\n0.906362 0.911307 0.631856 O\n0.317523 0.005719 0.105047 O\n","nsites":30,"nelements":4,"elements":["K","Ti","Si","O"],"chemical_system":"K-O-Si-Ti","density":2.7022668182664003,"density_atomic":0.06889397119129415,"volume":435.4517453595559,"volume_molar":8.741172349143074,"formula_full":"K4 Ti2 Si6 O18","formula_reduced":"K2Ti(SiO3)3","formula_anonymous":"AB2C3D9","energy_above_hull":2.5464714422222223,"spacegroup":146},{"id":"jvasp-55008","created_at":"2022-09-04T14:37:30.360196Z","updated_at":"2022-09-04T14:37:30.360213Z","structure_string":"K2 Ti2 P2 Se10\n1.0\n6.553757 0.005552 -0.848917\n-0.360892 6.851276 -2.741332\n0.010767 -0.008414 9.933503\nK Ti P Se\n2 2 2 10\ndirect\n0.764954 0.268117 0.536232 K\n0.235047 0.731884 0.463768 K\n0.000000 0.723927 0.000000 Ti\n0.000000 0.276073 0.000000 Ti\n0.214419 0.137942 0.275882 P\n0.785582 0.862059 0.724118 P\n0.117588 0.914417 0.828834 Se\n0.187897 0.438223 0.876443 Se\n0.660597 0.156368 0.827703 Se\n0.882413 0.085584 0.171166 Se\n0.339404 0.843633 0.172297 Se\n0.660597 0.671336 0.827703 Se\n0.812104 0.561778 0.123557 Se\n0.257722 0.257260 0.514517 Se\n0.339404 0.328665 0.172297 Se\n0.742280 0.742741 0.485483 Se\n","nsites":16,"nelements":4,"elements":["K","Ti","P","Se"],"chemical_system":"K-P-Se-Ti","density":3.818394375842844,"density_atomic":0.03587775556131045,"volume":445.958777233377,"volume_molar":16.785165810355497,"formula_full":"K2 Ti2 P2 Se10","formula_reduced":"KTiPSe5","formula_anonymous":"ABCD5","energy_above_hull":1.7716860833333334,"spacegroup":12},{"id":"jvasp-57086","created_at":"2022-09-04T14:37:49.646889Z","updated_at":"2022-09-04T14:37:49.646914Z","structure_string":"K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n","nsites":16,"nelements":4,"elements":["K","Ti","P","S"],"chemical_system":"K-P-S-Ti","density":2.3587398440665175,"density_atomic":0.04083793864001841,"volume":391.7925471468603,"volume_molar":14.746436672733305,"formula_full":"K2 Ti2 P2 S10","formula_reduced":"KTiPS5","formula_anonymous":"ABCD5","energy_above_hull":2.1084889791666668,"spacegroup":12},{"id":"jvasp-112526","created_at":"2022-09-04T14:38:41.815924Z","updated_at":"2022-09-04T14:38:41.815956Z","structure_string":"K4 Ti2 O4 F8\n1.0\n5.994923 -0.053961 0.000000\n-1.003891 5.910517 0.000000\n-0.000000 -0.000000 7.563753\nK Ti O F\n4 2 4 8\ndirect\n0.976755 0.501492 0.250000 K\n0.498508 0.023244 0.750000 K\n0.023244 0.498508 0.750000 K\n0.501492 0.976756 0.250000 K\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.542581 0.542581 0.750000 O\n0.457419 0.457420 0.250000 O\n0.003864 0.003864 0.250000 O\n-0.003864 -0.003864 0.750000 O\n0.251448 0.251448 -0.006176 F\n0.789422 0.210578 0.500000 F\n0.789422 0.210578 -0.000000 F\n0.210578 0.789422 0.500000 F\n0.210578 0.789422 -0.000000 F\n0.251448 0.251448 0.506176 F\n0.748552 0.748553 0.493824 F\n0.748552 0.748553 0.006176 F\n","nsites":18,"nelements":4,"elements":["K","Ti","O","F"],"chemical_system":"F-K-O-Ti","density":2.904804743674384,"density_atomic":0.06726521809522727,"volume":267.59743757193246,"volume_molar":8.952830200408277,"formula_full":"K4 Ti2 O4 F8","formula_reduced":"K2Ti(OF2)2","formula_anonymous":"AB2C2D4","energy_above_hull":0.523553607037037,"spacegroup":63},{"id":"jvasp-104732","created_at":"2022-09-04T14:36:50.472935Z","updated_at":"2022-09-04T14:36:50.472967Z","structure_string":"K1 Ti1 O2 F1\n1.0\n3.866977 -0.000000 0.000000\n0.000000 3.866977 0.000000\n0.000000 0.000000 4.147090\nK Ti O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n","nsites":5,"nelements":4,"elements":["K","Ti","O","F"],"chemical_system":"F-K-O-Ti","density":3.6942265449376737,"density_atomic":0.08062753191851073,"volume":62.01355642454043,"volume_molar":7.4690873163356954,"formula_full":"K1 Ti1 O2 F1","formula_reduced":"KTiO2F","formula_anonymous":"ABCD2","energy_above_hull":1.0043347231666668,"spacegroup":123},{"id":"jvasp-108986","created_at":"2022-09-04T14:37:46.443043Z","updated_at":"2022-09-04T14:37:46.443074Z","structure_string":"K2 Ti1 Hg1 F6\n1.0\n5.742108 -0.000000 3.315207\n1.914036 5.413711 3.315207\n-0.000000 -0.000000 6.630415\nK Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Hg\n0.200973 0.200973 0.799027 F\n0.200973 0.799027 0.799027 F\n0.799028 0.799027 0.200973 F\n0.200973 0.799027 0.200973 F\n0.799028 0.200973 0.799027 F\n0.799028 0.200973 0.200973 F\n","nsites":10,"nelements":4,"elements":["K","Ti","Hg","F"],"chemical_system":"F-Hg-K-Ti","density":3.550012160222373,"density_atomic":0.048516879849571815,"volume":206.1138315366802,"volume_molar":12.412465060968156,"formula_full":"K2 Ti1 Hg1 F6","formula_reduced":"K2TiHgF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-106224","created_at":"2022-09-04T14:36:56.551243Z","updated_at":"2022-09-04T14:36:56.551262Z","structure_string":"K2 Ti1 Cu1 F6\n1.0\n5.109136 -0.000000 2.949761\n1.703045 4.816940 2.949761\n-0.000000 -0.000000 5.899522\nK Ti Cu F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.499999 Cu\n0.761895 0.238105 0.238105 F\n0.238106 0.238105 0.761894 F\n0.238106 0.761895 0.761894 F\n0.238106 0.761895 0.238105 F\n0.761895 0.238105 0.761894 F\n0.761896 0.761895 0.238104 F\n","nsites":10,"nelements":4,"elements":["K","Ti","Cu","F"],"chemical_system":"Cu-F-K-Ti","density":3.472285022906651,"density_atomic":0.06887545405665747,"volume":145.1896054547085,"volume_molar":8.743522409371185,"formula_full":"K2 Ti1 Cu1 F6","formula_reduced":"K2TiCuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110575","created_at":"2022-09-04T14:38:39.059230Z","updated_at":"2022-09-04T14:38:39.059248Z","structure_string":"K1 Ti2 Bi1 O6\n1.0\n4.798886 -0.000000 2.770638\n1.599629 4.524433 2.770638\n0.000000 0.000000 5.541276\nK Ti Bi O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750000 0.750001 Ti\n0.500001 0.500000 0.500001 Bi\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 0.500001 O\n0.000000 0.000000 0.500000 O\n0.500001 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":10,"nelements":4,"elements":["K","Ti","Bi","O"],"chemical_system":"Bi-K-O-Ti","density":6.070143134714267,"density_atomic":0.08311618928128062,"volume":120.3135043421943,"volume_molar":7.245448584775653,"formula_full":"K1 Ti2 Bi1 O6","formula_reduced":"KTi2BiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.389977996666667,"spacegroup":225}]}