{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=3534","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=3532","results":[{"id":"jvasp-12143","created_at":"2022-09-04T14:37:16.473978Z","updated_at":"2022-09-04T14:37:16.473994Z","structure_string":"Zr4 I8\n1.0\n3.773247 0.000000 0.000000\n0.000000 6.848319 -0.674144\n0.000000 0.010402 15.059258\nZr I\n4 8\ndirect\n0.250000 0.687365 0.996748 Zr\n0.250000 0.188692 0.503665 Zr\n0.750001 0.312635 0.003253 Zr\n0.750001 0.811308 0.496336 Zr\n0.250000 0.602920 0.609687 I\n0.750001 0.397080 0.390313 I\n0.750001 0.551217 0.852990 I\n0.750001 0.944816 0.109782 I\n0.250000 0.448783 0.147011 I\n0.750001 0.111572 0.647105 I\n0.250000 0.055184 0.890219 I\n0.250000 0.888428 0.352896 I\n","nsites":12,"nelements":2,"elements":["Zr","I"],"chemical_system":"I-Zr","density":5.888942681085296,"density_atomic":0.030835353081351928,"volume":389.1636968884638,"volume_molar":19.529988011202526,"formula_full":"Zr4 I8","formula_reduced":"ZrI2","formula_anonymous":"AB2","energy_above_hull":0.7769423500000003,"spacegroup":11},{"id":"jvasp-29630","created_at":"2022-09-04T14:37:06.794111Z","updated_at":"2022-09-04T14:37:06.794130Z","structure_string":"Zr4 I8\n1.0\n3.773592 0.000000 0.000000\n0.000000 6.882684 0.000000\n0.000000 0.000000 14.989308\nZr I\n4 8\ndirect\n0.000000 0.491478 0.007146 Zr\n0.000000 0.884449 0.500236 Zr\n0.500000 0.115550 0.000236 Zr\n0.500000 0.508521 0.507146 Zr\n0.000000 0.883102 0.113529 I\n0.500000 0.778602 0.356614 I\n0.000000 0.221397 0.856614 I\n0.500000 0.724924 0.894102 I\n0.500000 0.116898 0.613529 I\n0.500000 0.384150 0.150674 I\n0.000000 0.275076 0.394102 I\n0.000000 0.615850 0.650674 I\n","nsites":12,"nelements":2,"elements":["Zr","I"],"chemical_system":"I-Zr","density":5.886745912518347,"density_atomic":0.03082385048435477,"volume":389.3089218717443,"volume_molar":19.537276055295724,"formula_full":"Zr4 I8","formula_reduced":"ZrI2","formula_anonymous":"AB2","energy_above_hull":0.777069016666667,"spacegroup":31},{"id":"jvasp-86295","created_at":"2022-09-04T14:35:43.487603Z","updated_at":"2022-09-04T14:35:43.487631Z","structure_string":"Zr4 I12\n1.0\n6.554240 -0.000000 0.000000\n0.000000 7.329765 0.000000\n0.000000 0.000000 12.694960\nZr I\n4 12\ndirect\n0.499875 0.249792 0.750000 Zr\n0.000125 0.249792 0.750000 Zr\n0.500125 0.750207 0.250000 Zr\n-0.000125 0.750207 0.250000 Zr\n0.250000 0.414871 0.915038 I\n0.250000 0.919696 0.750000 I\n0.250000 0.915155 0.084967 I\n0.250000 0.915155 0.415033 I\n0.750000 0.084844 0.584967 I\n0.750000 0.585128 0.415038 I\n0.750000 0.579823 0.750000 I\n0.750000 0.084844 0.915033 I\n0.750000 0.585128 0.084962 I\n0.750000 0.080303 0.250000 I\n0.250000 0.420176 0.250000 I\n0.250000 0.414871 0.584962 I\n","nsites":16,"nelements":2,"elements":["Zr","I"],"chemical_system":"I-Zr","density":5.139841962612958,"density_atomic":0.02623470921172071,"volume":609.8790678743939,"volume_molar":22.954859958232465,"formula_full":"Zr4 I12","formula_reduced":"ZrI3","formula_anonymous":"AB3","energy_above_hull":0.5904258312500001,"spacegroup":193},{"id":"jvasp-86898","created_at":"2022-09-04T14:35:44.813707Z","updated_at":"2022-09-04T14:35:44.813726Z","structure_string":"Zr4 I12\n1.0\n6.554816 -0.000000 0.000000\n0.000000 7.329835 0.000000\n0.000000 0.000000 12.696272\nZr I\n4 12\ndirect\n0.500064 0.249828 0.750000 Zr\n-0.000064 0.249828 0.750000 Zr\n0.499936 0.750171 0.250000 Zr\n0.000064 0.750171 0.250000 Zr\n0.250000 0.414876 0.914993 I\n0.250000 0.919804 0.750000 I\n0.250000 0.915157 0.084963 I\n0.250000 0.915157 0.415036 I\n0.750000 0.084842 0.584963 I\n0.750000 0.585124 0.414993 I\n0.750000 0.579896 0.750000 I\n0.750000 0.084842 0.915036 I\n0.750000 0.585124 0.085007 I\n0.750000 0.080195 0.250000 I\n0.250000 0.420103 0.250000 I\n0.250000 0.414876 0.585007 I\n","nsites":16,"nelements":2,"elements":["Zr","I"],"chemical_system":"I-Zr","density":5.138810134998581,"density_atomic":0.026229442571692338,"volume":610.0015261958986,"volume_molar":22.959469091040802,"formula_full":"Zr4 I12","formula_reduced":"ZrI3","formula_anonymous":"AB3","energy_above_hull":0.5903983312500002,"spacegroup":193},{"id":"jvasp-19785","created_at":"2022-09-04T14:38:20.635005Z","updated_at":"2022-09-04T14:38:20.635024Z","structure_string":"Zr6 Hg2\n1.0\n5.587103 -0.000000 0.000000\n0.000000 5.587103 0.000000\n0.000000 0.000000 5.587103\nZr Hg\n6 2\ndirect\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750000 0.000000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750000 0.000000 0.500000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750000 Zr\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n","nsites":8,"nelements":2,"elements":["Zr","Hg"],"chemical_system":"Hg-Zr","density":9.031032146628576,"density_atomic":0.04587012816871427,"volume":174.40544248263953,"volume_molar":13.12867654925674,"formula_full":"Zr6 Hg2","formula_reduced":"Zr3Hg","formula_anonymous":"AB3","energy_above_hull":2.828562166666667,"spacegroup":223},{"id":"jvasp-19776","created_at":"2022-09-04T14:38:02.696524Z","updated_at":"2022-09-04T14:38:02.696549Z","structure_string":"Zr1 Hg3\n1.0\n4.441179 -0.000000 -0.000000\n0.000000 4.441179 0.000000\n0.000000 0.000000 4.441179\nZr Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Zr","Hg"],"chemical_system":"Hg-Zr","density":13.136623078855102,"density_atomic":0.04566307547786499,"volume":87.59812952018498,"volume_molar":13.188206657081631,"formula_full":"Zr1 Hg3","formula_reduced":"ZrHg3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-123399","created_at":"2022-09-04T14:38:53.593192Z","updated_at":"2022-09-04T14:38:53.593223Z","structure_string":"Zr1 Hg1\n1.0\n1.579348 -2.735508 0.000000\n1.579348 2.735508 0.000000\n0.000000 0.000000 5.097990\nZr Hg\n1 1\ndirect\n0.333334 0.666668 0.750000 Zr\n0.666668 0.333334 0.250000 Hg\n","nsites":2,"nelements":2,"elements":["Zr","Hg"],"chemical_system":"Hg-Zr","density":11.00044926175051,"density_atomic":0.04540306763924482,"volume":44.049887022859885,"volume_molar":13.263731005687978,"formula_full":"Zr1 Hg1","formula_reduced":"ZrHg","formula_anonymous":"AB","energy_above_hull":1.0019598333333333,"spacegroup":187},{"id":"jvasp-14583","created_at":"2022-09-04T14:35:51.958997Z","updated_at":"2022-09-04T14:35:51.959015Z","structure_string":"Zr2 Hg2\n1.0\n4.257194 0.000000 0.000000\n0.000000 4.483901 0.000000\n0.000000 0.000000 4.483901\nZr Hg\n2 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Zr","Hg"],"chemical_system":"Hg-Zr","density":11.322693332750605,"density_atomic":0.04673309235040237,"volume":85.59245277432535,"volume_molar":12.886244965015994,"formula_full":"Zr2 Hg2","formula_reduced":"ZrHg","formula_anonymous":"AB","energy_above_hull":0.9463648333333332,"spacegroup":123},{"id":"jvasp-51342","created_at":"2022-09-04T14:37:06.157373Z","updated_at":"2022-09-04T14:37:06.157400Z","structure_string":"Zr1 H1\n1.0\n-1.649852 1.649852 2.476712\n1.649852 -1.649852 2.476712\n1.649852 1.649852 -2.476712\nZr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.749999 0.250000 0.499999 H\n","nsites":2,"nelements":2,"elements":["Zr","H"],"chemical_system":"H-Zr","density":5.679432813330847,"density_atomic":0.07416594262391263,"volume":26.9665553924364,"volume_molar":8.119819619279452,"formula_full":"Zr1 H1","formula_reduced":"ZrH","formula_anonymous":"AB","energy_above_hull":2.1237622499999995,"spacegroup":119},{"id":"jvasp-18389","created_at":"2022-09-04T14:38:03.413591Z","updated_at":"2022-09-04T14:38:03.413619Z","structure_string":"Zr1 H2\n1.0\n2.953260 -0.000000 1.705065\n0.984420 2.784360 1.705065\n-0.000000 -0.000000 3.410131\nZr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.749998 H\n0.250000 0.250000 0.249999 H\n","nsites":3,"nelements":2,"elements":["Zr","H"],"chemical_system":"H-Zr","density":5.521443994883847,"density_atomic":0.10698505708224222,"volume":28.041299241386778,"volume_molar":5.6289550374970805,"formula_full":"Zr1 H2","formula_reduced":"ZrH2","formula_anonymous":"AB2","energy_above_hull":2.6024781666666668,"spacegroup":225},{"id":"jvasp-52908","created_at":"2022-09-04T14:36:59.153416Z","updated_at":"2022-09-04T14:36:59.153438Z","structure_string":"Zr4 H4\n1.0\n4.572158 0.000004 -0.000007\n0.000004 4.572148 0.000004\n-0.000008 0.000005 5.035150\nZr H\n4 4\ndirect\n0.750001 0.249998 0.749998 Zr\n0.249998 0.749999 0.749999 Zr\n0.250000 0.249999 0.250001 Zr\n0.749999 0.749999 0.249998 Zr\n0.499998 0.500000 0.500000 H\n-0.000000 0.000001 1.000000 H\n0.500001 0.499999 0.999999 H\n0.999999 0.999998 0.499999 H\n","nsites":8,"nelements":2,"elements":["Zr","H"],"chemical_system":"H-Zr","density":5.820181250897517,"density_atomic":0.07600393259369853,"volume":105.2577113708887,"volume_molar":7.923459424386804,"formula_full":"Zr4 H4","formula_reduced":"ZrH","formula_anonymous":"AB","energy_above_hull":2.07087225,"spacegroup":131},{"id":"jvasp-18396","created_at":"2022-09-04T14:38:14.827256Z","updated_at":"2022-09-04T14:38:14.827267Z","structure_string":"Zr1 H2\n1.0\n3.001885 -0.009683 -1.495184\n-1.848853 2.774305 -0.363264\n-0.006453 0.009683 3.353632\nZr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.749999 0.250001 H\n0.500000 0.249999 0.750000 H\n","nsites":3,"nelements":2,"elements":["Zr","H"],"chemical_system":"H-Zr","density":5.553382219818232,"density_atomic":0.10760390114203472,"volume":27.880030074746713,"volume_molar":5.596582183438601,"formula_full":"Zr1 H2","formula_reduced":"ZrH2","formula_anonymous":"AB2","energy_above_hull":2.5997681666666663,"spacegroup":139}]}