{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=97","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=95","results":[{"id":"jvasp-98451","created_at":"2022-09-04T14:35:52.821754Z","updated_at":"2022-09-04T14:35:52.821778Z","structure_string":"K2 Ca4 Si8 O21\n1.0\n6.577964 -0.010227 -1.806857\n-2.675749 6.553493 -0.810068\n0.004990 -0.017896 11.249115\nK Ca Si O\n2 4 8 21\ndirect\n0.741862 0.712417 0.432113 K\n0.258136 0.287581 0.567886 K\n0.657962 0.783587 0.815782 Ca\n0.342037 0.216411 0.184217 Ca\n0.369020 0.733553 0.040028 Ca\n0.630979 0.266445 0.959971 Ca\n0.131051 0.528941 0.255927 Si\n0.868947 0.471058 0.744072 Si\n0.666997 0.202351 0.472032 Si\n0.333002 0.797647 0.527966 Si\n0.172956 0.904127 0.745412 Si\n0.900932 0.758200 0.111128 Si\n0.099066 0.241799 0.888871 Si\n0.827042 0.095872 0.254587 Si\n0.086325 0.460816 0.849846 O\n0.648982 0.407314 0.780404 O\n0.351017 0.592684 0.219595 O\n0.536145 0.318168 0.392945 O\n0.463854 0.681830 0.607054 O\n0.054665 0.281661 0.258000 O\n0.945334 0.718337 0.741999 O\n0.913674 0.539182 0.150153 O\n0.883223 0.889144 0.238483 O\n0.387519 0.912122 0.851820 O\n0.329441 0.310307 0.999533 O\n0.670557 0.689691 0.000466 O\n0.125528 0.877626 0.085035 O\n0.874471 0.122373 0.914964 O\n0.612480 0.087876 0.148179 O\n0.182781 0.878617 0.599498 O\n0.146398 0.652540 0.392974 O\n0.853601 0.347459 0.607025 O\n0.500000 -0.000001 0.500000 O\n0.116776 0.110854 0.761516 O\n0.817217 0.121382 0.400501 O\n","nsites":35,"nelements":4,"elements":["K","Ca","Si","O"],"chemical_system":"Ca-K-O-Si","density":2.739030111896189,"density_atomic":0.07223890375004605,"volume":484.5034764246085,"volume_molar":8.336423239252383,"formula_full":"K2 Ca4 Si8 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0.486210 0.686819 O\n0.125013 0.238048 0.718033 O\n0.874986 0.761952 0.281967 O\n0.448432 0.185777 0.521070 O\n0.913936 0.136574 0.415909 O\n0.455484 0.923083 0.820663 O\n","nsites":26,"nelements":3,"elements":["Ca","Se","O"],"chemical_system":"Ca-O-Se","density":3.7901018885762943,"density_atomic":0.06667371905234225,"volume":389.95874790768283,"volume_molar":9.03225565574393,"formula_full":"Ca4 Se6 O16","formula_reduced":"Ca2Se3O8","formula_anonymous":"A2B3C8","energy_above_hull":1.9986029953846156,"spacegroup":2},{"id":"jvasp-88026","created_at":"2022-09-04T14:35:53.007063Z","updated_at":"2022-09-04T14:35:53.007081Z","structure_string":"Y1 Cu1 W2 O8\n1.0\n4.644339 0.038238 -1.954388\n-1.124653 5.551552 -2.126274\n-0.053565 0.079973 6.063651\nY Cu W O\n1 1 2 8\ndirect\n0.624637 0.723179 0.099650 Y\n0.124936 0.223457 0.099848 Cu\n0.869107 0.396109 0.581673 W\n0.380209 0.050264 0.617657 W\n0.134944 0.656139 0.836229 O\n0.630477 0.511635 0.353885 O\n0.165650 0.199351 0.803178 O\n0.593193 0.053765 0.405640 O\n0.618723 0.934664 0.845387 O\n0.114296 0.790269 0.363087 O\n0.656131 0.392582 0.793693 O\n0.083694 0.247082 0.396171 O\n","nsites":12,"nelements":4,"elements":["Y","Cu","W","O"],"chemical_system":"Cu-O-W-Y","density":6.855455493928338,"density_atomic":0.07643782429254048,"volume":156.9903396788738,"volume_molar":7.878482695886594,"formula_full":"Y1 Cu1 W2 O8","formula_reduced":"YCu(WO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.615197825,"spacegroup":2},{"id":"jvasp-85928","created_at":"2022-09-04T14:35:53.099056Z","updated_at":"2022-09-04T14:35:53.099080Z","structure_string":"Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 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O\n0.870252 0.130716 0.449692 O\n","nsites":38,"nelements":4,"elements":["La","P","H","O"],"chemical_system":"H-La-O-P","density":2.661435425325716,"density_atomic":0.08654029165095847,"volume":439.1018250003683,"volume_molar":6.958771047697646,"formula_full":"La2 P6 H16 O14","formula_reduced":"LaP3H8O7","formula_anonymous":"AB3C7D8","energy_above_hull":3.126004526315789,"spacegroup":2},{"id":"jvasp-98891","created_at":"2022-09-04T14:35:53.439341Z","updated_at":"2022-09-04T14:35:53.439369Z","structure_string":"P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n","nsites":40,"nelements":3,"elements":["P","Br","N"],"chemical_system":"Br-N-P","density":3.3283952356319064,"density_atomic":0.03915076938429375,"volume":1021.6912880401002,"volume_molar":15.38192187460797,"formula_full":"P10 Br20 N10","formula_reduced":"PBr2N","formula_anonymous":"ABC2","energy_above_hull":1.91225174,"spacegroup":2},{"id":"jvasp-98092","created_at":"2022-09-04T14:35:53.694121Z","updated_at":"2022-09-04T14:35:53.694149Z","structure_string":"Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n","nsites":28,"nelements":3,"elements":["Tl","Si","Te"],"chemical_system":"Si-Te-Tl","density":7.041479412923173,"density_atomic":0.028986640636196548,"volume":965.9622289943976,"volume_molar":20.77557325659863,"formula_full":"Tl12 Si4 Te12","formula_reduced":"Tl3SiTe3","formula_anonymous":"AB3C3","energy_above_hull":0.6044370999999997,"spacegroup":2},{"id":"jvasp-85707","created_at":"2022-09-04T14:35:53.391288Z","updated_at":"2022-09-04T14:35:53.391325Z","structure_string":"Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n","nsites":16,"nelements":4,"elements":["Ca","Zr","Ge","O"],"chemical_system":"Ca-Ge-O-Zr","density":4.362764664802384,"density_atomic":0.07402486568811927,"volume":216.14358704021188,"volume_molar":8.135294409546674,"formula_full":"Ca2 Zr2 Ge2 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0.969386 0.141901 O\n0.127699 0.371416 0.713147 O\n0.367446 0.711104 0.173724 O\n0.626474 0.531000 0.615483 O\n","nsites":24,"nelements":4,"elements":["K","Sb","Mo","O"],"chemical_system":"K-Mo-O-Sb","density":4.4529594169395965,"density_atomic":0.06693858052325026,"volume":358.5376297554429,"volume_molar":8.996516975600173,"formula_full":"K2 Sb2 Mo4 O16","formula_reduced":"KSb(MoO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.0739603250000003,"spacegroup":2},{"id":"jvasp-86443","created_at":"2022-09-04T14:35:54.258057Z","updated_at":"2022-09-04T14:35:54.258074Z","structure_string":"Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n","nsites":13,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":4.341976125679407,"density_atomic":0.08931715847691786,"volume":145.54874138052182,"volume_molar":6.742423138725686,"formula_full":"Cu3 P2 O8","formula_reduced":"Cu3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.146436180769231,"spacegroup":2},{"id":"jvasp-43596","created_at":"2022-09-04T14:35:54.269939Z","updated_at":"2022-09-04T14:35:54.269956Z","structure_string":"Li4 Fe2 F10\n1.0\n5.035190 -0.135667 0.096216\n-2.391728 5.138506 -0.120711\n-0.198418 -2.416979 6.634650\nLi Fe F\n4 2 10\ndirect\n0.497962 0.997549 0.499710 Li\n0.128007 0.281935 0.225267 Li\n0.867878 0.713149 0.774163 Li\n0.497951 -0.002453 -0.000288 Li\n0.867443 0.741433 0.270781 Fe\n0.128453 0.253643 0.728641 Fe\n0.531433 0.384326 0.160427 F\n0.854290 0.363933 0.645970 F\n0.233782 0.163700 0.445931 F\n0.141619 0.631153 0.353451 F\n0.304356 0.018266 0.754707 F\n0.762112 0.831380 0.553494 F\n0.930245 0.187874 0.952062 F\n0.065642 0.807189 0.047364 F\n0.464465 0.610754 0.839006 F\n0.691541 0.976810 0.244717 F\n","nsites":16,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.242902397968554,"density_atomic":0.09484862254522962,"volume":168.68985095034165,"volume_molar":6.349212670039858,"formula_full":"Li4 Fe2 F10","formula_reduced":"Li2FeF5","formula_anonymous":"AB2C5","energy_above_hull":0.2560583640624999,"spacegroup":2},{"id":"jvasp-88622","created_at":"2022-09-04T14:35:54.409612Z","updated_at":"2022-09-04T14:35:54.409634Z","structure_string":"Na4 P4 H8 O16\n1.0\n6.357498 0.019735 -1.987501\n-1.210324 9.146829 -2.233826\n-0.047198 -0.018228 6.311331\nNa P H O\n4 4 8 16\ndirect\n0.166719 0.869081 0.572866 Na\n0.833282 0.130919 0.427134 Na\n0.444763 0.591440 0.759748 Na\n0.555238 0.408561 0.240251 Na\n0.722386 0.911074 0.746925 P\n0.277614 0.088927 0.253075 P\n0.097831 0.784128 0.010833 P\n0.902170 0.215873 0.989167 P\n0.873798 0.569174 0.667240 H\n0.787971 0.425416 0.707872 H\n0.212030 0.574584 0.292128 H\n0.126203 0.430827 0.332760 H\n0.808677 0.651420 0.169576 H\n0.337398 0.267456 0.709105 H\n0.662602 0.732544 0.290894 H\n0.191324 0.348580 0.830424 H\n0.338671 0.357097 0.826302 O\n0.661330 0.642903 0.173698 O\n0.716174 0.077259 0.888876 O\n0.283826 0.922741 0.111124 O\n0.876267 0.304063 0.207603 O\n0.123734 0.695938 0.792397 O\n0.906882 0.284876 0.799789 O\n0.491174 0.172815 0.318136 O\n0.508826 0.827185 0.681863 O\n0.176167 0.084108 0.434325 O\n0.823833 0.915893 0.565674 O\n0.118029 0.141072 0.042445 O\n0.881971 0.858929 0.957555 O\n0.739917 0.508720 0.644081 O\n0.093118 0.715124 0.200211 O\n0.260083 0.491281 0.355919 O\n","nsites":32,"nelements":4,"elements":["Na","P","H","O"],"chemical_system":"H-Na-O-P","density":2.177327265723393,"density_atomic":0.08743122462820851,"volume":366.0019648137884,"volume_molar":6.887860470453753,"formula_full":"Na4 P4 H8 O16","formula_reduced":"NaP(HO2)2","formula_anonymous":"ABC2D4","energy_above_hull":2.2554510625,"spacegroup":2}]}