{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=505","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=503","results":[{"id":"jvasp-34405","created_at":"2022-09-04T14:38:03.191632Z","updated_at":"2022-09-04T14:38:03.191653Z","structure_string":"K2 Te6 O12 F2\n1.0\n7.106238 -0.059886 0.785294\n0.696726 7.072254 0.785295\n-0.066638 -0.059887 7.149186\nK Te O F\n2 6 12 2\ndirect\n0.849959 0.849957 0.849958 K\n0.150042 0.150042 0.150042 K\n0.354354 0.126227 0.638244 Te\n0.873773 0.361755 0.645646 Te\n0.361756 0.645645 0.873772 Te\n0.126228 0.638244 0.354354 Te\n0.638245 0.354354 0.126227 Te\n0.645647 0.873772 0.361755 Te\n0.344803 0.951854 0.450238 O\n0.144253 0.656190 0.059216 O\n0.059216 0.144252 0.656191 O\n0.656191 0.059216 0.144252 O\n0.951856 0.450238 0.344802 O\n0.940785 0.855746 0.343809 O\n0.450239 0.344802 0.951855 O\n0.343810 0.940783 0.855747 O\n0.549762 0.655197 0.048144 O\n0.655197 0.048144 0.549761 O\n0.048145 0.549760 0.655197 O\n0.855748 0.343809 0.940784 O\n0.348915 0.348914 0.348914 F\n0.651086 0.651084 0.651085 F\n","nsites":22,"nelements":4,"elements":["K","Te","O","F"],"chemical_system":"F-K-O-Te","density":4.949237235967062,"density_atomic":0.06106523521071681,"volume":360.2704537874121,"volume_molar":9.86181538353123,"formula_full":"K2 Te6 O12 F2","formula_reduced":"KTe3O6F","formula_anonymous":"ABC3D6","energy_above_hull":1.67306368030303,"spacegroup":148},{"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-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-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-98623","created_at":"2022-09-04T14:36:01.776330Z","updated_at":"2022-09-04T14:36:01.776357Z","structure_string":"K4 H12 S4 O24\n1.0\n9.060110 3.820911 -0.152429\n-9.060110 3.820911 0.152429\n-0.017078 -0.000000 7.399165\nK H S O\n4 12 4 24\ndirect\n0.201139 0.558772 0.120920 K\n0.558772 0.201139 0.379081 K\n0.798860 0.441228 0.879081 K\n0.441227 0.798861 0.620920 K\n0.136302 0.235083 0.922385 H\n0.764917 0.863697 0.422384 H\n0.863697 0.764917 0.077616 H\n0.166372 0.072602 0.378690 H\n0.072602 0.166372 0.121311 H\n0.235083 0.136302 0.577616 H\n0.927398 0.833627 0.878690 H\n0.282799 0.356745 0.448874 H\n0.356744 0.282799 0.051127 H\n0.717200 0.643255 0.551127 H\n0.643255 0.717201 0.948874 H\n0.833627 0.927398 0.621311 H\n0.707479 0.012404 0.142765 S\n0.012404 0.707479 0.357236 S\n0.292520 0.987596 0.857236 S\n0.987596 0.292520 0.642765 S\n0.910455 0.537299 0.249195 O\n0.462701 0.089545 0.749195 O\n0.089544 0.462701 0.750806 O\n0.801752 0.203320 0.086730 O\n0.732610 0.814124 0.548089 O\n0.198248 0.796679 0.913271 O\n0.796679 0.198248 0.586730 O\n0.814124 0.732610 0.951912 O\n0.537299 0.910455 0.250806 O\n0.203320 0.801752 0.413271 O\n0.006755 0.166129 0.713788 O\n0.707813 0.532567 0.542449 O\n0.993245 0.833870 0.286213 O\n0.833870 0.993245 0.213787 O\n0.088657 0.363091 0.439779 O\n0.363091 0.088657 0.060221 O\n0.911342 0.636909 0.560221 O\n0.636908 0.911343 0.939780 O\n0.292186 0.467433 0.457552 O\n0.467433 0.292186 0.042449 O\n0.185876 0.267390 0.048089 O\n0.532567 0.707813 0.957552 O\n0.166129 0.006755 0.786213 O\n0.267389 0.185876 0.451911 O\n","nsites":44,"nelements":4,"elements":["K","H","S","O"],"chemical_system":"H-K-O-S","density":2.20663425437458,"density_atomic":0.08589273684843872,"volume":512.2668297045863,"volume_molar":7.011233988999926,"formula_full":"K4 H12 S4 O24","formula_reduced":"KH3SO6","formula_anonymous":"ABC3D6","energy_above_hull":2.4351462727272724,"spacegroup":15},{"id":"jvasp-117268","created_at":"2022-09-04T14:38:47.125318Z","updated_at":"2022-09-04T14:38:47.125345Z","structure_string":"Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n","nsites":22,"nelements":4,"elements":["Ca","Sc","Co","O"],"chemical_system":"Ca-Co-O-Sc","density":4.15533099674854,"density_atomic":0.08598784638576999,"volume":255.85011050632323,"volume_molar":7.003478995139242,"formula_full":"Ca6 Sc2 Co2 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O\n0.723599 0.912494 0.041568 O\n0.958432 0.276401 0.087504 O\n","nsites":22,"nelements":4,"elements":["Sr","Zn","Co","O"],"chemical_system":"Co-O-Sr-Zn","density":5.595192362963446,"density_atomic":0.07670663777645273,"volume":286.8069913859987,"volume_molar":7.850873059448144,"formula_full":"Sr6 Zn2 Co2 O12","formula_reduced":"Sr3ZnCoO6","formula_anonymous":"ABC3D6","energy_above_hull":1.3790292027272726,"spacegroup":167},{"id":"jvasp-116536","created_at":"2022-09-04T14:38:43.735893Z","updated_at":"2022-09-04T14:38:43.735921Z","structure_string":"Ba6 Na2 Sb2 O12\n1.0\n7.200651 -0.007917 -0.234166\n-0.241648 7.196600 -0.234166\n-0.007664 -0.007917 7.204453\nBa Na Sb O\n6 2 2 12\ndirect\n0.250000 0.600833 0.899166 Ba\n0.899167 0.249999 0.600833 Ba\n0.600833 0.899166 0.249999 Ba\n0.399167 0.100833 0.749999 Ba\n0.750000 0.399166 0.100833 Ba\n0.100834 0.750000 0.399166 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.499999 Sb\n0.231748 0.417987 0.551174 O\n0.917987 0.731748 0.051174 O\n0.731748 0.051174 0.917986 O\n0.051175 0.917987 0.731747 O\n0.582013 0.448825 0.768251 O\n0.948825 0.082012 0.268251 O\n0.768252 0.582013 0.448824 O\n0.082013 0.268252 0.948824 O\n0.268252 0.948825 0.082012 O\n0.551175 0.231748 0.417986 O\n0.448825 0.768252 0.582012 O\n0.417987 0.551175 0.231747 O\n","nsites":22,"nelements":4,"elements":["Ba","Na","Sb","O"],"chemical_system":"Ba-Na-O-Sb","density":5.8070794929995175,"density_atomic":0.05893450885185981,"volume":373.2957214473459,"volume_molar":10.218360816643944,"formula_full":"Ba6 Na2 Sb2 O12","formula_reduced":"Ba3NaSbO6","formula_anonymous":"ABC3D6","energy_above_hull":1.3819594554545451,"spacegroup":167},{"id":"jvasp-112793","created_at":"2022-09-04T14:38:43.768623Z","updated_at":"2022-09-04T14:38:43.768647Z","structure_string":"Ca6 Mn2 Co2 O12\n1.0\n6.319990 -0.016608 -0.231706\n-0.246115 6.348508 -0.236927\n-0.016924 -0.017507 6.323961\nCa Mn Co O\n6 2 2 12\ndirect\n0.884778 0.249954 0.615200 Ca\n0.612603 0.887735 0.246429 Ca\n0.253630 0.612276 0.887408 Ca\n0.115202 0.750021 0.384783 Ca\n0.387427 0.112259 0.753595 Ca\n0.746396 0.387711 0.112614 Ca\n0.499958 0.500024 0.500011 Mn\n0.000013 0.000028 0.999964 Mn\n0.756860 0.749880 0.743277 Co\n0.243228 0.249992 0.256796 Co\n0.911136 0.713023 0.042279 O\n0.209627 0.417892 0.544214 O\n0.418536 0.549480 0.213419 O\n0.542317 0.213056 0.411146 O\n0.581416 0.450490 0.786606 O\n0.955756 0.082142 0.290317 O\n0.790328 0.582197 0.455826 O\n0.088837 0.286979 0.957695 O\n0.286585 0.950521 0.081477 O\n0.044280 0.917951 0.709635 O\n0.457661 0.786949 0.588836 O\n0.713444 0.049455 0.918478 O\n","nsites":22,"nelements":4,"elements":["Ca","Mn","Co","O"],"chemical_system":"Ca-Co-Mn-O","density":4.321983424688803,"density_atomic":0.08673192841557267,"volume":253.65514640223208,"volume_molar":6.943395436966587,"formula_full":"Ca6 Mn2 Co2 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Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n","nsites":44,"nelements":4,"elements":["Sb","S","Br","F"],"chemical_system":"Br-F-S-Sb","density":3.698825112613739,"density_atomic":0.04827784490806591,"volume":911.3911377731943,"volume_molar":12.473922088833474,"formula_full":"Sb4 S4 Br12 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0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n","nsites":22,"nelements":4,"elements":["Rb","Ca","H","N"],"chemical_system":"Ca-H-N-Rb","density":2.250436280907033,"density_atomic":0.08586708424750822,"volume":256.2099341417712,"volume_molar":7.013328579600346,"formula_full":"Rb2 Ca2 H12 N6","formula_reduced":"RbCa(H2N)3","formula_anonymous":"ABC3D6","energy_above_hull":3.19765547,"spacegroup":15},{"id":"jvasp-45308","created_at":"2022-09-04T14:38:28.962715Z","updated_at":"2022-09-04T14:38:28.962744Z","structure_string":"Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n","nsites":22,"nelements":4,"elements":["Ag","Hg","Sb","O"],"chemical_system":"Ag-Hg-O-Sb","density":8.841492763747794,"density_atomic":0.06315454647593588,"volume":348.3518009013457,"volume_molar":9.535561722851812,"formula_full":"Ag2 Hg6 Sb2 O12","formula_reduced":"AgHg3SbO6","formula_anonymous":"ABC3D6","energy_above_hull":1.1242361963636365,"spacegroup":167}]}