{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=572","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=570","results":[{"id":"jvasp-110705","created_at":"2022-09-04T14:38:37.472165Z","updated_at":"2022-09-04T14:38:37.472190Z","structure_string":"Rb2 Cu1 Ru1 F6\n1.0\n5.147689 -0.000000 2.972019\n1.715896 4.853288 2.972019\n-0.000000 -0.000000 5.944039\nRb Cu Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ru\n0.755617 0.244383 0.244383 F\n0.244383 0.244383 0.755617 F\n0.244383 0.755618 0.755617 F\n0.244383 0.755618 0.244383 F\n0.755617 0.244383 0.755617 F\n0.755618 0.755618 0.244383 F\n","nsites":10,"nelements":4,"elements":["Rb","Cu","Ru","F"],"chemical_system":"Cu-F-Rb-Ru","density":5.026774167793547,"density_atomic":0.06733951516149157,"volume":148.50121768798462,"volume_molar":8.942952359484451,"formula_full":"Rb2 Cu1 Ru1 F6","formula_reduced":"Rb2CuRuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-120044","created_at":"2022-09-04T14:38:37.462859Z","updated_at":"2022-09-04T14:38:37.462876Z","structure_string":"C1 Cl1 F2\n1.0\n3.624636 0.000000 0.000000\n0.000000 3.624636 0.000000\n0.000000 -0.000000 4.393641\nC Cl F\n1 1 2\ndirect\n0.500001 0.500001 0.353244 C\n0.000000 0.000000 0.260784 Cl\n0.000000 0.000000 0.760956 F\n0.500001 0.500001 0.635014 F\n","nsites":4,"nelements":3,"elements":["C","Cl","F"],"chemical_system":"C-Cl-F","density":2.4584489355893546,"density_atomic":0.06929575388758803,"volume":57.72359452916586,"volume_molar":8.690490285695068,"formula_full":"C1 Cl1 F2","formula_reduced":"CClF2","formula_anonymous":"ABC2","energy_above_hull":1.4832661581249995,"spacegroup":99},{"id":"jvasp-110521","created_at":"2022-09-04T14:38:37.459324Z","updated_at":"2022-09-04T14:38:37.459340Z","structure_string":"Y1 Zn1 Si1\n1.0\n4.117229 -0.000000 0.000000\n-2.058614 3.565624 -0.000000\n0.000000 0.000000 4.049378\nY Zn Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666666 0.500000 Zn\n0.666667 0.333333 0.500000 Si\n","nsites":3,"nelements":3,"elements":["Y","Zn","Si"],"chemical_system":"Si-Y-Zn","density":5.0950198268971105,"density_atomic":0.05046524293923,"volume":59.446855405265474,"volume_molar":11.933244366329184,"formula_full":"Y1 Zn1 Si1","formula_reduced":"YZnSi","formula_anonymous":"ABC","energy_above_hull":1.1031848166666665,"spacegroup":187},{"id":"jvasp-110820","created_at":"2022-09-04T14:38:37.458907Z","updated_at":"2022-09-04T14:38:37.458938Z","structure_string":"Mg1 Zn2 Rh1\n1.0\n3.785859 -0.000000 2.185767\n1.261953 3.569342 2.185767\n-0.000000 -0.000000 4.371533\nMg Zn Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500001 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750001 Zn\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Rh"],"chemical_system":"Mg-Rh-Zn","density":7.253212754771166,"density_atomic":0.06771324591904251,"volume":59.07263705512467,"volume_molar":8.893593385258816,"formula_full":"Mg1 Zn2 Rh1","formula_reduced":"MgZn2Rh","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110429","created_at":"2022-09-04T14:38:37.458606Z","updated_at":"2022-09-04T14:38:37.458627Z","structure_string":"Hf6 Th2\n1.0\n6.635225 0.000000 0.000000\n-3.317614 5.746274 -0.000000\n-0.000000 0.000000 5.248636\nHf Th\n6 2\ndirect\n0.153972 0.307942 0.250000 Hf\n0.692058 0.846028 0.250000 Hf\n0.153972 0.846028 0.250000 Hf\n0.846029 0.692057 0.750001 Hf\n0.307943 0.153972 0.750001 Hf\n0.846029 0.153972 0.750001 Hf\n0.333333 0.666667 0.750001 Th\n0.666668 0.333333 0.250000 Th\n","nsites":8,"nelements":2,"elements":["Hf","Th"],"chemical_system":"Hf-Th","density":12.737189148125749,"density_atomic":0.03997620348808606,"volume":200.11905338595264,"volume_molar":15.064313853102018,"formula_full":"Hf6 Th2","formula_reduced":"Hf3Th","formula_anonymous":"AB3","energy_above_hull":4.977078649999999,"spacegroup":194},{"id":"jvasp-110927","created_at":"2022-09-04T14:38:37.458551Z","updated_at":"2022-09-04T14:38:37.458573Z","structure_string":"Rb2 Li1 Ru1 Cl6\n1.0\n6.922451 0.000000 0.000000\n-3.461225 5.995018 0.000000\n-0.000000 -0.000000 5.913364\nRb Li Ru Cl\n2 1 1 6\ndirect\n0.333333 0.666667 0.258439 Rb\n0.666666 0.333333 0.741560 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ru\n0.837703 0.162297 0.265688 Cl\n0.162296 0.837703 0.734311 Cl\n0.837703 0.675405 0.265688 Cl\n0.162297 0.324595 0.734311 Cl\n0.324595 0.162297 0.265688 Cl\n0.675405 0.837703 0.734311 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Ru","Cl"],"chemical_system":"Cl-Li-Rb-Ru","density":3.326848642812779,"density_atomic":0.04074881702110972,"volume":245.4058971778138,"volume_molar":14.778688561388813,"formula_full":"Rb2 Li1 Ru1 Cl6","formula_reduced":"Rb2LiRuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.3182044905,"spacegroup":164},{"id":"jvasp-110827","created_at":"2022-09-04T14:38:37.457706Z","updated_at":"2022-09-04T14:38:37.457723Z","structure_string":"Mg1 Sc3\n1.0\n3.233343 0.000000 0.000000\n-1.616672 2.800157 0.000000\n-0.000000 -0.000000 10.545267\nMg Sc\n1 3\ndirect\n0.333334 0.666667 0.500000 Mg\n0.666666 0.333334 0.757711 Sc\n0.333334 0.666667 -0.000000 Sc\n0.666666 0.333334 0.242289 Sc\n","nsites":4,"nelements":2,"elements":["Mg","Sc"],"chemical_system":"Mg-Sc","density":2.768382137822476,"density_atomic":0.04189558422165469,"volume":95.47545581026911,"volume_molar":14.37416585036501,"formula_full":"Mg1 Sc3","formula_reduced":"MgSc3","formula_anonymous":"AB3","energy_above_hull":1.832937675,"spacegroup":187},{"id":"jvasp-110902","created_at":"2022-09-04T14:38:37.456577Z","updated_at":"2022-09-04T14:38:37.456611Z","structure_string":"Y3 Mg3 Au3\n1.0\n7.529226 -0.000000 0.000000\n-3.764613 6.520501 0.000000\n-0.000000 -0.000000 4.131184\nY Mg Au\n3 3 3\ndirect\n0.589264 0.000000 -0.000000 Y\n0.000000 0.589264 -0.000000 Y\n0.410736 0.410736 -0.000000 Y\n0.246587 0.000000 0.500000 Mg\n0.000000 0.246587 0.500000 Mg\n0.753413 0.753413 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n","nsites":9,"nelements":3,"elements":["Y","Mg","Au"],"chemical_system":"Au-Mg-Y","density":7.618591579286829,"density_atomic":0.044374826878617366,"volume":202.8176926665775,"volume_molar":13.571074376183883,"formula_full":"Y3 Mg3 Au3","formula_reduced":"YMgAu","formula_anonymous":"ABC","energy_above_hull":0.4785306899999998,"spacegroup":189},{"id":"jvasp-110546","created_at":"2022-09-04T14:38:37.456095Z","updated_at":"2022-09-04T14:38:37.456120Z","structure_string":"Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n","nsites":10,"nelements":3,"elements":["Sb","Te","Se"],"chemical_system":"Sb-Se-Te","density":5.976554826595167,"density_atomic":0.032521012033803885,"volume":307.4935057250225,"volume_molar":18.517691742619512,"formula_full":"Sb4 Te3 Se3","formula_reduced":"Sb4(TeSe)3","formula_anonymous":"A3B3C4","energy_above_hull":1.5780447800000004,"spacegroup":8},{"id":"jvasp-111105","created_at":"2022-09-04T14:38:37.455154Z","updated_at":"2022-09-04T14:38:37.455182Z","structure_string":"Ba4 Bi2 O1\n1.0\n5.134973 0.007349 -8.736709\n-0.373905 5.121348 -8.736709\n-0.006823 -0.007349 10.134002\nBa Bi O\n4 2 1\ndirect\n0.997661 0.497661 0.500000 Ba\n0.497662 0.997661 0.500001 Ba\n0.833649 0.833649 0.000000 Ba\n0.177196 0.177196 0.000000 Ba\n0.636588 0.636588 0.000000 Bi\n0.361386 0.361386 0.000000 Bi\n0.978660 0.978661 0.000001 O\n","nsites":7,"nelements":3,"elements":["Ba","Bi","O"],"chemical_system":"Ba-Bi-O","density":6.141107062819036,"density_atomic":0.026328348478182,"volume":265.87311413782066,"volume_molar":22.873218823392886,"formula_full":"Ba4 Bi2 O1","formula_reduced":"Ba4Bi2O","formula_anonymous":"AB2C4","energy_above_hull":0.3004208542857142,"spacegroup":107},{"id":"jvasp-110670","created_at":"2022-09-04T14:38:37.450779Z","updated_at":"2022-09-04T14:38:37.450806Z","structure_string":"Na3 Pr1 Cl6\n1.0\n6.573416 -0.000000 3.795163\n2.191139 6.197476 3.795163\n-0.000000 -0.000000 7.590327\nNa Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Pr\n0.746612 0.253389 0.253388 Cl\n0.253389 0.253389 0.746611 Cl\n0.253389 0.746612 0.746611 Cl\n0.253389 0.746612 0.253388 Cl\n0.746612 0.253389 0.746611 Cl\n0.746612 0.746612 0.253388 Cl\n","nsites":10,"nelements":3,"elements":["Na","Pr","Cl"],"chemical_system":"Cl-Na-Pr","density":2.2693785784520464,"density_atomic":0.032339517990804104,"volume":309.2192036641841,"volume_molar":18.621615701608246,"formula_full":"Na3 Pr1 Cl6","formula_reduced":"Na3PrCl6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-118212","created_at":"2022-09-04T14:38:37.449855Z","updated_at":"2022-09-04T14:38:37.449882Z","structure_string":"Cu1 F3\n1.0\n5.956960 0.982130 0.534512\n-3.591227 -2.798331 -0.317753\n-0.578067 -1.229114 -3.522043\nCu F\n1 3\ndirect\n0.908274 0.930730 -0.018655 Cu\n0.539079 0.862705 0.837769 F\n0.908232 0.930616 0.481359 F\n0.277504 -0.001225 0.124851 F\n","nsites":4,"nelements":2,"elements":["Cu","F"],"chemical_system":"Cu-F","density":4.385986993006607,"density_atomic":0.08764813673329092,"volume":45.637022634854276,"volume_molar":6.870814354359964,"formula_full":"Cu1 F3","formula_reduced":"CuF3","formula_anonymous":"AB3","energy_above_hull":0.004942570625,"spacegroup":2}]}