{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3522","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3520","results":[{"id":"jvasp-9160","created_at":"2022-09-04T14:37:19.122726Z","updated_at":"2022-09-04T14:37:19.122744Z","structure_string":"Th6 Sb8\n1.0\n7.727157 0.000000 -2.731962\n-3.863578 6.691913 -2.731962\n-0.000000 -0.000000 8.195887\nTh Sb\n6 8\ndirect\n0.750000 0.875000 0.125000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750001 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.250000 0.625000 0.375000 Th\n0.659110 0.659109 0.659110 Sb\n0.340890 0.500000 0.000000 Sb\n0.500000 -0.000000 0.340891 Sb\n-0.000000 0.340890 0.500000 Sb\n0.500000 -0.000000 0.840891 Sb\n-0.000000 0.840890 0.500000 Sb\n0.159110 0.159110 0.159110 Sb\n0.840890 0.500000 0.000000 Sb\n","nsites":14,"nelements":2,"elements":["Th","Sb"],"chemical_system":"Sb-Th","density":9.271594967340395,"density_atomic":0.03303406745148697,"volume":423.8049105082218,"volume_molar":18.230091613283676,"formula_full":"Th6 Sb8","formula_reduced":"Th3Sb4","formula_anonymous":"A3B4","energy_above_hull":2.564007314285714,"spacegroup":220},{"id":"jvasp-11280","created_at":"2022-09-04T14:37:34.048009Z","updated_at":"2022-09-04T14:37:34.048029Z","structure_string":"Mg2 Cr2 F10\n1.0\n4.872142 0.047059 -1.833159\n-1.998362 4.758662 -0.679811\n-0.091258 -0.036866 7.319969\nMg Cr F\n2 2 10\ndirect\n0.279896 0.529895 0.750000 Mg\n0.720103 0.470103 0.250000 Mg\n0.000000 0.000000 0.000000 Cr\n0.499999 -0.000000 0.500000 Cr\n0.363111 0.113111 0.250000 F\n0.636889 0.886888 0.750000 F\n0.568422 0.710620 0.364443 F\n0.846177 0.203980 0.135557 F\n0.761363 0.672532 0.041464 F\n0.131069 0.719899 0.458536 F\n0.238636 0.327466 0.958536 F\n0.868931 0.280100 0.541464 F\n0.153822 0.796019 0.864443 F\n0.431578 0.289379 0.635557 F\n","nsites":14,"nelements":3,"elements":["Mg","Cr","F"],"chemical_system":"Cr-F-Mg","density":3.3591713462034822,"density_atomic":0.0826687155574357,"volume":169.35064135928454,"volume_molar":7.28466714329921,"formula_full":"Mg2 Cr2 F10","formula_reduced":"MgCrF5","formula_anonymous":"ABC5","energy_above_hull":0.0726625517857139,"spacegroup":15},{"id":"jvasp-22743","created_at":"2022-09-04T14:37:31.026984Z","updated_at":"2022-09-04T14:37:31.027011Z","structure_string":"Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n","nsites":14,"nelements":2,"elements":["Al","Ru"],"chemical_system":"Al-Ru","density":3.881400516650439,"density_atomic":0.062222718275156144,"volume":224.99820625145884,"volume_molar":9.678363348527121,"formula_full":"Al12 Ru2","formula_reduced":"Al6Ru","formula_anonymous":"AB6","energy_above_hull":2.3377539000000005,"spacegroup":63},{"id":"jvasp-10059","created_at":"2022-09-04T14:37:31.050819Z","updated_at":"2022-09-04T14:37:31.050851Z","structure_string":"Ca2 V4 O8\n1.0\n6.187346 -0.014755 -0.076323\n3.080895 5.365776 -0.076323\n3.027096 1.747695 4.943227\nCa V O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Ca\n0.625000 0.125000 0.625001 Ca\n0.994454 0.994454 0.005547 V\n0.255546 0.255546 0.244455 V\n0.625000 0.625000 0.125001 V\n0.625000 0.625000 0.625001 V\n0.390824 0.390825 0.338059 O\n0.395566 0.877144 0.363645 O\n0.390824 0.390825 0.880294 O\n0.877144 0.395567 0.363645 O\n0.372854 0.854433 0.886358 O\n0.854433 0.372855 0.886358 O\n0.859175 0.859175 0.369708 O\n0.859175 0.859176 0.911943 O\n","nsites":14,"nelements":3,"elements":["Ca","V","O"],"chemical_system":"Ca-O-V","density":4.120586945741439,"density_atomic":0.08433893135200089,"volume":165.99688632013783,"volume_molar":7.140404393868488,"formula_full":"Ca2 V4 O8","formula_reduced":"CaV2O4","formula_anonymous":"AB2C4","energy_above_hull":2.556558974285714,"spacegroup":74},{"id":"jvasp-53641","created_at":"2022-09-04T14:37:19.124142Z","updated_at":"2022-09-04T14:37:19.124174Z","structure_string":"Yb4 Sm2 S8\n1.0\n6.860366 -0.070590 -2.382278\n-3.491316 5.905957 -2.382278\n0.040755 0.070590 7.262108\nYb Sm S\n4 2 8\ndirect\n0.124672 0.750000 0.874672 Yb\n0.250000 0.624673 0.374672 Yb\n0.375327 0.250000 0.625327 Yb\n0.750000 0.875328 0.125327 Yb\n0.625000 0.375000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.998401 0.354335 0.505857 S\n0.507455 0.001599 0.855933 S\n0.151522 0.145666 0.144067 S\n0.348477 0.492545 0.994143 S\n0.645665 0.651523 0.644067 S\n0.501599 0.007456 0.355933 S\n0.992544 0.848478 0.494143 S\n0.854335 0.498402 0.005857 S\n","nsites":14,"nelements":3,"elements":["Yb","Sm","S"],"chemical_system":"S-Sm-Yb","density":7.038285102114993,"density_atomic":0.04749460625262765,"volume":294.77031403382665,"volume_molar":12.67963087843648,"formula_full":"Yb4 Sm2 S8","formula_reduced":"Yb2SmS4","formula_anonymous":"AB2C4","energy_above_hull":0.9306928964285712,"spacegroup":122},{"id":"jvasp-34374","created_at":"2022-09-04T14:37:19.272798Z","updated_at":"2022-09-04T14:37:19.272823Z","structure_string":"Mg4 Si2 O8\n1.0\n4.821527 0.000035 0.000062\n-0.000000 5.184003 -2.965973\n-0.000208 -0.023120 5.972945\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.928454 0.333351 0.666701 Si\n0.071546 0.666650 0.333300 Si\n0.266796 0.333343 0.666687 O\n0.223373 0.375806 0.187895 O\n0.733204 0.666657 0.333314 O\n0.223373 0.812087 0.187895 O\n0.223372 0.812060 0.624121 O\n0.776627 0.624194 0.812106 O\n0.776627 0.187913 0.812106 O\n0.776628 0.187940 0.375880 O\n","nsites":14,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.1367246520431076,"density_atomic":0.09398370048385792,"volume":148.96200009069187,"volume_molar":6.407643803123424,"formula_full":"Mg4 Si2 O8","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.3777229571428569,"spacegroup":164},{"id":"jvasp-9592","created_at":"2022-09-04T14:37:32.674309Z","updated_at":"2022-09-04T14:37:32.674337Z","structure_string":"Tm4 Cd2 S8\n1.0\n6.817070 -0.000000 3.935837\n2.272357 6.427195 3.935837\n-0.000000 -0.000000 7.871675\nTm Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875001 0.875000 Cd\n0.741945 0.741946 0.741945 S\n0.258055 0.258055 0.725834 S\n0.258055 0.725835 0.258055 S\n0.725835 0.258055 0.258055 S\n0.741945 0.274166 0.741945 S\n0.274166 0.741946 0.741945 S\n0.258055 0.258055 0.258055 S\n0.741945 0.741946 0.274165 S\n","nsites":14,"nelements":3,"elements":["Tm","Cd","S"],"chemical_system":"Cd-S-Tm","density":5.570903864117706,"density_atomic":0.040592112235354555,"volume":344.8945922997918,"volume_molar":14.835741301372558,"formula_full":"Tm4 Cd2 S8","formula_reduced":"Tm2CdS4","formula_anonymous":"AB2C4","energy_above_hull":1.108502607142857,"spacegroup":227},{"id":"jvasp-11616","created_at":"2022-09-04T14:37:28.338392Z","updated_at":"2022-09-04T14:37:28.338425Z","structure_string":"Ca2 Ti2 F10\n1.0\n5.303656 0.016153 1.920978\n1.149965 5.177509 1.920978\n-0.003666 -0.002951 7.718675\nCa Ti F\n2 2 10\ndirect\n0.456772 0.543228 0.750001 Ca\n0.543229 0.456771 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204798 0.255058 0.879569 F\n0.744943 0.795201 0.620432 F\n0.795203 0.744942 0.120432 F\n0.255058 0.204799 0.379569 F\n0.093184 0.906816 0.750001 F\n0.906817 0.093183 0.250000 F\n0.286342 0.684824 0.469672 F\n0.315176 0.713658 0.030329 F\n0.713659 0.315175 0.530329 F\n0.684824 0.286342 0.969672 F\n","nsites":14,"nelements":3,"elements":["Ca","Ti","F"],"chemical_system":"Ca-F-Ti","density":2.867561959927658,"density_atomic":0.06607849794965232,"volume":211.8692227336512,"volume_molar":9.113616300098853,"formula_full":"Ca2 Ti2 F10","formula_reduced":"CaTiF5","formula_anonymous":"ABC5","energy_above_hull":1.4285714285966478e-06,"spacegroup":15},{"id":"jvasp-34482","created_at":"2022-09-04T14:37:19.034310Z","updated_at":"2022-09-04T14:37:19.034337Z","structure_string":"Sr2 Cl4 O8\n1.0\n5.953362 0.000000 0.000000\n0.000000 5.417897 -2.540679\n0.000000 -0.059969 6.919183\nSr Cl O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.250000 0.072501 0.145002 Cl\n0.250000 0.427499 0.854998 Cl\n0.750000 0.572501 0.145002 Cl\n0.750000 0.927500 0.854998 Cl\n0.596516 0.487836 0.288744 O\n0.096516 0.300908 0.288744 O\n0.903484 0.699092 0.711255 O\n0.403484 0.512165 0.711255 O\n0.903484 0.800908 0.288744 O\n0.596516 0.012164 0.711255 O\n0.403484 0.987836 0.288744 O\n0.096516 0.199092 0.711255 O\n","nsites":14,"nelements":3,"elements":["Sr","Cl","O"],"chemical_system":"Cl-O-Sr","density":3.3248804881914977,"density_atomic":0.06298670712630185,"volume":222.26912056105743,"volume_molar":9.560970933000702,"formula_full":"Sr2 Cl4 O8","formula_reduced":"Sr(ClO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.4419850226785718,"spacegroup":68},{"id":"jvasp-35128","created_at":"2022-09-04T14:37:32.730891Z","updated_at":"2022-09-04T14:37:32.730909Z","structure_string":"Ca4 Si2 O8\n1.0\n5.760667 0.000000 0.000000\n-2.880333 4.587109 0.000000\n0.000000 0.000000 7.035019\nCa Si O\n4 2 8\ndirect\n0.679326 0.358650 0.335730 Ca\n0.320676 0.641350 0.835730 Ca\n-0.000008 -0.000017 0.085695 Ca\n0.000008 0.000017 0.585695 Ca\n0.649857 0.299712 0.835713 Si\n0.350145 0.700288 0.335713 Si\n0.752914 0.505826 0.025005 O\n0.247087 0.494174 0.525005 O\n0.752957 0.505912 0.646461 O\n0.309245 0.077364 0.835698 O\n0.768120 0.077364 0.835698 O\n0.247045 0.494088 0.146461 O\n0.690756 0.922636 0.335698 O\n0.231881 0.922636 0.335698 O\n","nsites":14,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":3.0770441997711897,"density_atomic":0.0753097021031645,"volume":185.899022423722,"volume_molar":7.99650057272893,"formula_full":"Ca4 Si2 O8","formula_reduced":"Ca2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.4734219199999998,"spacegroup":63},{"id":"jvasp-9954","created_at":"2022-09-04T14:37:19.047124Z","updated_at":"2022-09-04T14:37:19.047145Z","structure_string":"Ca2 Mo4 O8\n1.0\n3.317197 -0.000000 -0.000000\n-1.658598 4.740192 0.000000\n-0.000000 0.000000 10.199501\nCa Mo O\n2 4 8\ndirect\n0.376122 0.752243 0.750000 Ca\n0.623878 0.247756 0.250000 Ca\n0.886277 0.772553 0.058989 Mo\n0.113723 0.227446 0.941011 Mo\n0.886277 0.772553 0.441011 Mo\n0.113723 0.227446 0.558989 Mo\n0.245197 0.490397 0.390981 O\n0.754803 0.509603 0.609019 O\n0.754803 0.509603 0.890981 O\n0.245197 0.490397 0.109019 O\n0.950715 0.901430 0.250000 O\n0.049285 0.098569 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":14,"nelements":3,"elements":["Ca","Mo","O"],"chemical_system":"Ca-Mo-O","density":6.128575395989911,"density_atomic":0.08729350143729267,"volume":160.37849060341458,"volume_molar":6.898727466357857,"formula_full":"Ca2 Mo4 O8","formula_reduced":"Ca(MoO2)2","formula_anonymous":"AB2C4","energy_above_hull":3.1406280314285717,"spacegroup":63},{"id":"jvasp-11433","created_at":"2022-09-04T14:37:19.062658Z","updated_at":"2022-09-04T14:37:19.062684Z","structure_string":"Dy4 Cd2 S8\n1.0\n6.890604 0.000000 3.978292\n2.296868 6.496525 3.978292\n-0.000000 -0.000000 7.956585\nDy Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 -0.000000 0.500000 Dy\n0.875000 0.874999 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.742838 0.742838 0.742838 S\n0.257162 0.257162 0.728514 S\n0.257162 0.728514 0.257161 S\n0.728514 0.257162 0.257162 S\n0.742838 0.271485 0.742838 S\n0.271486 0.742838 0.742838 S\n0.257162 0.257162 0.257162 S\n0.742838 0.742838 0.271485 S\n","nsites":14,"nelements":3,"elements":["Dy","Cd","S"],"chemical_system":"Cd-Dy-S","density":5.274458687003873,"density_atomic":0.03930636864863716,"volume":356.176377552125,"volume_molar":15.321030578612863,"formula_full":"Dy4 Cd2 S8","formula_reduced":"Dy2CdS4","formula_anonymous":"AB2C4","energy_above_hull":1.130126107142857,"spacegroup":227}]}