{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=622","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=620","results":[{"id":"jvasp-121043","created_at":"2022-09-04T14:38:54.759429Z","updated_at":"2022-09-04T14:38:54.759459Z","structure_string":"Sr1 Sn1 F1\n1.0\n3.489264 -0.000000 -0.000000\n0.000000 3.489264 0.000000\n0.000000 -0.000000 7.904385\nSr Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.008092 Sr\n0.000000 0.000000 0.571913 Sn\n0.000000 0.000000 0.292220 F\n","nsites":3,"nelements":3,"elements":["Sr","Sn","F"],"chemical_system":"F-Sn-Sr","density":3.8880271756499707,"density_atomic":0.03117349602541474,"volume":96.23559698130094,"volume_molar":19.318143704800846,"formula_full":"Sr1 Sn1 F1","formula_reduced":"SrSnF","formula_anonymous":"ABC","energy_above_hull":0.1066899999999999,"spacegroup":99},{"id":"jvasp-100249","created_at":"2022-09-04T14:36:38.391786Z","updated_at":"2022-09-04T14:36:38.391797Z","structure_string":"Tl6 As2\n1.0\n7.336121 -0.000000 0.000000\n-3.668060 6.353268 -0.000000\n0.000000 -0.000000 5.005020\nTl As\n6 2\ndirect\n0.175545 0.351090 0.250000 Tl\n0.648910 0.824456 0.250000 Tl\n0.175545 0.824456 0.250000 Tl\n0.824455 0.648910 0.750000 Tl\n0.351090 0.175545 0.750000 Tl\n0.824455 0.175545 0.750000 Tl\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n","nsites":8,"nelements":2,"elements":["Tl","As"],"chemical_system":"As-Tl","density":9.79587385984886,"density_atomic":0.03429418673588473,"volume":233.275687847963,"volume_molar":17.560237851328186,"formula_full":"Tl6 As2","formula_reduced":"Tl3As","formula_anonymous":"AB3","energy_above_hull":0.1069898875,"spacegroup":194},{"id":"jvasp-19648","created_at":"2022-09-04T14:38:29.989301Z","updated_at":"2022-09-04T14:38:29.989328Z","structure_string":"Cd1 Au3\n1.0\n4.195971 0.000000 -0.000000\n0.000000 4.195971 -0.000000\n-0.000000 0.000000 4.194333\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":4,"nelements":2,"elements":["Cd","Au"],"chemical_system":"Au-Cd","density":15.814973306692346,"density_atomic":0.054166668844105544,"volume":73.84615087762191,"volume_molar":11.117797879230917,"formula_full":"Cd1 Au3","formula_reduced":"CdAu3","formula_anonymous":"AB3","energy_above_hull":0.1071137849999999,"spacegroup":221},{"id":"jvasp-97395","created_at":"2022-09-04T14:36:05.251799Z","updated_at":"2022-09-04T14:36:05.251817Z","structure_string":"K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n","nsites":36,"nelements":3,"elements":["K","Sn","Sb"],"chemical_system":"K-Sb-Sn","density":3.2895838352960225,"density_atomic":0.02623957122355413,"volume":1371.9736383376705,"volume_molar":22.950606580774398,"formula_full":"K20 Sn4 Sb12","formula_reduced":"K5SnSb3","formula_anonymous":"AB3C5","energy_above_hull":0.1071645763888889,"spacegroup":14},{"id":"jvasp-3033","created_at":"2022-09-04T14:36:55.002661Z","updated_at":"2022-09-04T14:36:55.002682Z","structure_string":"Rb2 Au2 Se2\n1.0\n5.365120 -0.011437 0.000000\n-1.100174 5.251120 0.000000\n0.000000 0.000000 6.911409\nRb Au Se\n2 2 2\ndirect\n0.631693 0.368307 0.250000 Rb\n0.368308 0.631692 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.209692 0.790308 0.250000 Se\n0.790308 0.209691 0.750000 Se\n","nsites":6,"nelements":3,"elements":["Rb","Au","Se"],"chemical_system":"Au-Rb-Se","density":6.166752334072415,"density_atomic":0.030828137170568145,"volume":194.62739402003976,"volume_molar":19.534559375677695,"formula_full":"Rb2 Au2 Se2","formula_reduced":"RbAuSe","formula_anonymous":"ABC","energy_above_hull":0.1072551561111112,"spacegroup":63},{"id":"jvasp-69353","created_at":"2022-09-04T14:35:43.284201Z","updated_at":"2022-09-04T14:35:43.284231Z","structure_string":"Ba2 Mg1 Sb1\n1.0\n0.000000 4.232935 4.232935\n4.232935 0.000000 4.232935\n4.232935 4.232935 0.000000\nBa Mg Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Sb\n","nsites":4,"nelements":3,"elements":["Ba","Mg","Sb"],"chemical_system":"Ba-Mg-Sb","density":4.605602249309816,"density_atomic":0.026369700478943096,"volume":151.68924664859603,"volume_molar":22.837349877405085,"formula_full":"Ba2 Mg1 Sb1","formula_reduced":"Ba2MgSb","formula_anonymous":"ABC2","energy_above_hull":0.1072673404166666,"spacegroup":225},{"id":"jvasp-80290","created_at":"2022-09-04T14:37:17.605801Z","updated_at":"2022-09-04T14:37:17.605824Z","structure_string":"Na1 Ca2 Al1\n1.0\n-11.680906 -0.000000 -6.743975\n-7.611074 0.291337 -0.305182\n-6.567998 3.241603 -2.111843\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.727423 0.000001 -0.000000 Ca\n0.272576 0.000000 -0.000000 Ca\n0.500000 0.000001 -0.000000 Al\n","nsites":4,"nelements":3,"elements":["Na","Ca","Al"],"chemical_system":"Al-Ca-Na","density":1.4490987816848935,"density_atomic":0.026825043824050224,"volume":149.11438826481117,"volume_molar":22.449695886799624,"formula_full":"Na1 Ca2 Al1","formula_reduced":"NaCa2Al","formula_anonymous":"ABC2","energy_above_hull":0.1073181600000001,"spacegroup":71},{"id":"jvasp-101185","created_at":"2022-09-04T14:37:07.592856Z","updated_at":"2022-09-04T14:37:07.592876Z","structure_string":"In2 Bi1\n1.0\n5.592944 0.000000 0.000000\n-2.796471 4.843631 0.000000\n0.000000 0.000000 3.312738\nIn Bi\n2 1\ndirect\n0.000000 0.000000 0.500000 In\n0.333333 0.666666 -0.000000 In\n0.666666 0.333333 0.500000 Bi\n","nsites":3,"nelements":2,"elements":["In","Bi"],"chemical_system":"Bi-In","density":8.115875066929918,"density_atomic":0.03342894296281433,"volume":89.74259231998865,"volume_molar":18.014750770608888,"formula_full":"In2 Bi1","formula_reduced":"In2Bi","formula_anonymous":"AB2","energy_above_hull":0.1073671444444444,"spacegroup":187},{"id":"jvasp-25280","created_at":"2022-09-04T14:37:52.366030Z","updated_at":"2022-09-04T14:37:52.366056Z","structure_string":"C16\n1.0\n2.522127 0.000000 0.000000\n-1.261064 2.184226 -0.000000\n0.000000 -0.000000 16.559070\nC\n16\ndirect\n0.000000 0.000000 0.953300 C\n0.666669 0.333334 0.297422 C\n0.333335 0.666668 0.797422 C\n0.666669 0.333334 0.202578 C\n0.333335 0.666668 0.077867 C\n0.333335 0.666668 0.328793 C\n0.333335 0.666668 0.422133 C\n0.666669 0.333334 0.671207 C\n0.333335 0.666668 0.702578 C\n0.000000 0.000000 0.453300 C\n0.000000 0.000000 0.046700 C\n0.333335 0.666668 0.171207 C\n0.666669 0.333334 0.828793 C\n0.000000 0.000000 0.546700 C\n0.666669 0.333334 0.577867 C\n0.666669 0.333334 0.922133 C\n","nsites":16,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.4981379634576677,"density_atomic":0.17539593213652718,"volume":91.2221840330122,"volume_molar":3.4334552042588995,"formula_full":"C16","formula_reduced":"C","formula_anonymous":"A","energy_above_hull":0.1073699999999995,"spacegroup":194},{"id":"jvasp-57638","created_at":"2022-09-04T14:38:36.694286Z","updated_at":"2022-09-04T14:38:36.694317Z","structure_string":"Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n","nsites":12,"nelements":2,"elements":["Ca","Cd"],"chemical_system":"Ca-Cd","density":5.858323273428403,"density_atomic":0.039954300546275995,"volume":300.3431379333327,"volume_molar":15.072572107788542,"formula_full":"Ca4 Cd8","formula_reduced":"CaCd2","formula_anonymous":"AB2","energy_above_hull":0.10738375,"spacegroup":194},{"id":"jvasp-8656","created_at":"2022-09-04T14:37:04.836518Z","updated_at":"2022-09-04T14:37:04.836545Z","structure_string":"Tl4 O2\n1.0\n3.542135 -0.006251 12.462902\n1.731437 3.090127 12.462902\n-0.010690 -0.006251 12.956486\nTl O\n4 2\ndirect\n0.289560 0.289560 0.289559 Tl\n0.710441 0.710442 0.710438 Tl\n0.877344 0.877344 0.877340 Tl\n0.122657 0.122657 0.122657 Tl\n0.583352 0.583352 0.583349 O\n0.416649 0.416649 0.416648 O\n","nsites":6,"nelements":2,"elements":["Tl","O"],"chemical_system":"O-Tl","density":9.898756225114393,"density_atomic":0.042102030311158854,"volume":142.51094200580016,"volume_molar":14.303682543318754,"formula_full":"Tl4 O2","formula_reduced":"Tl2O","formula_anonymous":"AB2","energy_above_hull":0.1074062333333335,"spacegroup":166},{"id":"jvasp-26390","created_at":"2022-09-04T14:37:59.006096Z","updated_at":"2022-09-04T14:37:59.006108Z","structure_string":"Tl4 O2\n1.0\n3.553893 0.002775 0.484076\n1.741061 3.098204 0.484076\n0.040201 0.023544 12.953209\nTl O\n4 2\ndirect\n0.122829 0.122827 0.632116 Tl\n0.289067 0.289065 0.131203 Tl\n0.877172 0.877168 0.367885 Tl\n0.710934 0.710930 0.868797 Tl\n0.582930 0.582928 0.249834 O\n0.417070 0.417068 0.750167 O\n","nsites":6,"nelements":2,"elements":["Tl","O"],"chemical_system":"O-Tl","density":9.900890011711137,"density_atomic":0.042111105870343314,"volume":142.48022881359407,"volume_molar":14.300599890541188,"formula_full":"Tl4 O2","formula_reduced":"Tl2O","formula_anonymous":"AB2","energy_above_hull":0.1074662333333335,"spacegroup":166}]}