{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=67","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=65","results":[{"id":"jvasp-100897","created_at":"2022-09-04T14:37:05.267735Z","updated_at":"2022-09-04T14:37:05.267762Z","structure_string":"K2 Cu1 Au1 F6\n1.0\n5.177632 -0.000000 2.989307\n1.725877 4.881518 2.989307\n-0.000000 -0.000000 5.978614\nK Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.735318 0.264682 0.264682 F\n0.264682 0.264682 0.735318 F\n0.264682 0.735318 0.735318 F\n0.264682 0.735318 0.264682 F\n0.735318 0.264682 0.735318 F\n0.735318 0.735318 0.264682 F\n","nsites":10,"nelements":4,"elements":["K","Cu","Au","F"],"chemical_system":"Au-Cu-F-K","density":4.974765425629619,"density_atomic":0.0661779653270645,"volume":151.10769801667422,"volume_molar":9.099918273759851,"formula_full":"K2 Cu1 Au1 F6","formula_reduced":"K2CuAuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100898","created_at":"2022-09-04T14:37:06.901927Z","updated_at":"2022-09-04T14:37:06.901947Z","structure_string":"K2 Hg1 As1 I6\n1.0\n7.263559 -0.000000 4.193618\n2.421186 6.848149 4.193618\n-0.000000 -0.000000 8.387235\nK Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757184 0.242817 0.242817 I\n0.242817 0.242817 0.757184 I\n0.242817 0.757184 0.757184 I\n0.242817 0.757184 0.242817 I\n0.757184 0.242817 0.757184 I\n0.757184 0.757184 0.242817 I\n","nsites":10,"nelements":4,"elements":["K","Hg","As","I"],"chemical_system":"As-Hg-I-K","density":4.438488214587284,"density_atomic":0.02396947483461039,"volume":417.1972923478757,"volume_molar":25.124208192097782,"formula_full":"K2 Hg1 As1 I6","formula_reduced":"K2HgAsI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100900","created_at":"2022-09-04T14:36:42.793812Z","updated_at":"2022-09-04T14:36:42.793842Z","structure_string":"K2 Y1 Hg1 F6\n1.0\n5.721788 -0.000000 3.303476\n1.907263 5.394553 3.303476\n-0.000000 -0.000000 6.606951\nK Y Hg F\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 Y\n0.500000 0.500000 0.500001 Hg\n0.769185 0.230815 0.230816 F\n0.230816 0.230815 0.769185 F\n0.230816 0.769184 0.769185 F\n0.230816 0.769184 0.230817 F\n0.769185 0.230815 0.769185 F\n0.769185 0.769184 0.230817 F\n","nsites":10,"nelements":4,"elements":["K","Y","Hg","F"],"chemical_system":"F-Hg-K-Y","density":3.922130013311757,"density_atomic":0.049035621853388736,"volume":203.93337785944533,"volume_molar":12.281155071318473,"formula_full":"K2 Y1 Hg1 F6","formula_reduced":"K2YHgF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100902","created_at":"2022-09-04T14:37:08.290462Z","updated_at":"2022-09-04T14:37:08.290482Z","structure_string":"K2 Tl1 Au1 Cl6\n1.0\n6.460601 0.000000 3.730030\n2.153534 6.091113 3.730030\n0.000000 0.000000 7.460060\nK Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.742947 0.257052 0.257053 Cl\n0.257052 0.257052 0.742948 Cl\n0.257052 0.742947 0.742948 Cl\n0.257052 0.742947 0.257053 Cl\n0.742947 0.257052 0.742948 Cl\n0.742947 0.742947 0.257053 Cl\n","nsites":10,"nelements":4,"elements":["K","Tl","Au","Cl"],"chemical_system":"Au-Cl-K-Tl","density":3.9156984752814146,"density_atomic":0.034063408503508086,"volume":293.5701516473353,"volume_molar":17.679207761547993,"formula_full":"K2 Tl1 Au1 Cl6","formula_reduced":"K2TlAuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100904","created_at":"2022-09-04T14:37:09.112301Z","updated_at":"2022-09-04T14:37:09.112328Z","structure_string":"K2 Sc1 Ag1 F6\n1.0\n5.374814 -0.000000 3.103150\n1.791605 5.067423 3.103150\n-0.000000 -0.000000 6.206301\nK Sc Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Ag\n0.229388 0.229389 0.770611 F\n0.229388 0.770611 0.770612 F\n0.770610 0.770611 0.229389 F\n0.229388 0.770611 0.229389 F\n0.770610 0.229389 0.770612 F\n0.770610 0.229389 0.229389 F\n","nsites":10,"nelements":4,"elements":["K","Sc","Ag","F"],"chemical_system":"Ag-F-K-Sc","density":3.389212284723382,"density_atomic":0.05915842013615232,"volume":169.0376446325837,"volume_molar":10.179684897162776,"formula_full":"K2 Sc1 Ag1 F6","formula_reduced":"K2ScAgF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-10092","created_at":"2022-09-04T14:36:53.252082Z","updated_at":"2022-09-04T14:36:53.252098Z","structure_string":"U4 Ge4 Au4\n1.0\n2.212458 -3.832090 0.000000\n2.212458 3.832090 0.000000\n0.000000 -0.000000 15.271681\nU Ge Au\n4 4 4\ndirect\n0.000000 0.000000 0.250000 U\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.107260 Ge\n0.666667 0.333333 0.607260 Ge\n0.666667 0.333333 0.892740 Ge\n0.333333 0.666667 0.392740 Ge\n0.333333 0.666667 0.853648 Au\n0.666667 0.333333 0.353648 Au\n0.666667 0.333333 0.146352 Au\n0.333333 0.666667 0.646351 Au\n","nsites":12,"nelements":3,"elements":["U","Ge","Au"],"chemical_system":"Au-Ge-U","density":13.020674480739105,"density_atomic":0.04633974837301419,"volume":258.9569521052506,"volume_molar":12.995626802986646,"formula_full":"U4 Ge4 Au4","formula_reduced":"UGeAu","formula_anonymous":"ABC","energy_above_hull":2.060739839999999,"spacegroup":194},{"id":"jvasp-100923","created_at":"2022-09-04T14:37:09.832167Z","updated_at":"2022-09-04T14:37:09.832193Z","structure_string":"Na2 Li1 Nd1 Cl6\n1.0\n6.330440 -0.000000 3.654881\n2.110147 5.968396 3.654881\n-0.000000 -0.000000 7.309763\nNa Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Nd\n0.739419 0.260581 0.260580 Cl\n0.260581 0.260581 0.739419 Cl\n0.260581 0.739420 0.739418 Cl\n0.260581 0.739420 0.260580 Cl\n0.739419 0.260581 0.739419 Cl\n0.739419 0.739420 0.260580 Cl\n","nsites":10,"nelements":4,"elements":["Na","Li","Nd","Cl"],"chemical_system":"Cl-Li-Na-Nd","density":2.4644021090192245,"density_atomic":0.036208053319689085,"volume":276.1816525099469,"volume_molar":16.632047867443077,"formula_full":"Na2 Li1 Nd1 Cl6","formula_reduced":"Na2LiNdCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100924","created_at":"2022-09-04T14:37:10.402409Z","updated_at":"2022-09-04T14:37:10.402440Z","structure_string":"Na2 Li1 Dy1 Cl6\n1.0\n6.208280 -0.000000 3.584352\n2.069427 5.853222 3.584352\n-0.000000 -0.000000 7.168704\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Dy\n0.743678 0.256322 0.256321 Cl\n0.256322 0.256322 0.743678 Cl\n0.256322 0.743678 0.743677 Cl\n0.256322 0.743678 0.256321 Cl\n0.743678 0.256322 0.743677 Cl\n0.743679 0.743678 0.256321 Cl\n","nsites":10,"nelements":4,"elements":["Na","Li","Dy","Cl"],"chemical_system":"Cl-Dy-Li-Na","density":2.729144175030644,"density_atomic":0.03838778549888714,"volume":260.4995279107699,"volume_molar":15.687648249922054,"formula_full":"Na2 Li1 Dy1 Cl6","formula_reduced":"Na2LiDyCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100925","created_at":"2022-09-04T14:36:44.490202Z","updated_at":"2022-09-04T14:36:44.490225Z","structure_string":"Na2 Li1 In1 Cl6\n1.0\n6.107886 -0.000000 3.526390\n2.035962 5.758570 3.526390\n-0.000000 0.000000 7.052779\nNa Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.748233 0.251768 0.251767 Cl\n0.251768 0.251768 0.748233 Cl\n0.251767 0.748232 0.748233 Cl\n0.251767 0.748232 0.251768 Cl\n0.748233 0.251768 0.748232 Cl\n0.748233 0.748232 0.251768 Cl\n","nsites":10,"nelements":4,"elements":["Na","Li","In","Cl"],"chemical_system":"Cl-In-Li-Na","density":2.5467616495149663,"density_atomic":0.04031198201744223,"volume":248.0652029382527,"volume_molar":14.938835697521233,"formula_full":"Na2 Li1 In1 Cl6","formula_reduced":"Na2LiInCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100928","created_at":"2022-09-04T14:36:40.362045Z","updated_at":"2022-09-04T14:36:40.362068Z","structure_string":"Rb2 Sc1 In1 F6\n1.0\n5.629603 -0.000000 3.250253\n1.876534 5.307641 3.250253\n-0.000000 -0.000000 6.500506\nRb Sc In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 In\n0.779725 0.220275 0.220275 F\n0.220274 0.220275 0.779726 F\n0.220274 0.779725 0.779726 F\n0.220274 0.779725 0.220275 F\n0.779725 0.220275 0.779726 F\n0.779724 0.779725 0.220275 F\n","nsites":10,"nelements":4,"elements":["Rb","Sc","In","F"],"chemical_system":"F-In-Rb-Sc","density":3.801803678501834,"density_atomic":0.051484147613773804,"volume":194.23454526271794,"volume_molar":11.697077720266785,"formula_full":"Rb2 Sc1 In1 F6","formula_reduced":"Rb2ScInF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100931","created_at":"2022-09-04T14:36:33.410366Z","updated_at":"2022-09-04T14:36:33.410395Z","structure_string":"Rb2 Sc1 In1 I6\n1.0\n7.490767 -0.000000 4.324796\n2.496922 7.062363 4.324796\n-0.000000 -0.000000 8.649592\nRb Sc In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.764811 0.235189 0.235190 I\n0.235189 0.235189 0.764811 I\n0.235189 0.764810 0.764811 I\n0.235189 0.764810 0.235190 I\n0.764811 0.235189 0.764811 I\n0.764811 0.764810 0.235190 I\n","nsites":10,"nelements":4,"elements":["Rb","Sc","In","I"],"chemical_system":"I-In-Rb-Sc","density":3.9632731523695734,"density_atomic":0.021853854782432562,"volume":457.58517659953515,"volume_molar":27.556423431718585,"formula_full":"Rb2 Sc1 In1 I6","formula_reduced":"Rb2ScInI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100934","created_at":"2022-09-04T14:36:38.654432Z","updated_at":"2022-09-04T14:36:38.654453Z","structure_string":"Ba2 In2 O5\n1.0\n5.225894 -0.030326 -3.051253\n-1.736892 4.928904 -3.051253\n0.021599 0.030326 6.051417\nBa In O\n2 2 5\ndirect\n0.000000 0.500000 0.500001 Ba\n0.500000 -0.000000 0.500000 Ba\n0.733962 0.733961 -0.000000 In\n0.266037 0.266037 -0.000000 In\n0.000000 0.000000 0.500001 O\n0.499999 0.499999 -0.000000 O\n0.499999 -0.000000 -0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":9,"nelements":3,"elements":["Ba","In","O"],"chemical_system":"Ba-In-O","density":6.198597383682086,"density_atomic":0.05749904306411261,"volume":156.52434406542758,"volume_molar":10.473462581429729,"formula_full":"Ba2 In2 O5","formula_reduced":"Ba2In2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.156712153333333,"spacegroup":139}]}