{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4598","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4596","results":[{"id":"jvasp-51259","created_at":"2022-09-04T14:37:04.525403Z","updated_at":"2022-09-04T14:37:04.525417Z","structure_string":"Zr1 B1 Te1\n1.0\n0.000000 3.242401 3.242401\n3.242401 0.000000 3.242401\n3.242401 3.242401 0.000000\nZr B Te\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Te\n","nsites":3,"nelements":3,"elements":["Zr","B","Te"],"chemical_system":"B-Te-Zr","density":5.593156996506997,"density_atomic":0.04400389148524922,"volume":68.17578852101401,"volume_molar":13.685473163251288,"formula_full":"Zr1 B1 Te1","formula_reduced":"ZrBTe","formula_anonymous":"ABC","energy_above_hull":3.1027482833333337,"spacegroup":216},{"id":"jvasp-36426","created_at":"2022-09-04T14:37:28.898239Z","updated_at":"2022-09-04T14:37:28.898264Z","structure_string":"Zr1 C1\n1.0\n2.926587 0.000000 -0.000000\n-0.000000 2.926587 0.000000\n0.000000 -0.000000 2.926587\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500001 0.500001 C\n","nsites":2,"nelements":2,"elements":["Zr","C"],"chemical_system":"C-Zr","density":6.838966559684875,"density_atomic":0.07978948801050033,"volume":25.065958560064946,"volume_molar":7.547536536651901,"formula_full":"Zr1 C1","formula_reduced":"ZrC","formula_anonymous":"AB","energy_above_hull":3.5748222500000004,"spacegroup":221},{"id":"jvasp-36428","created_at":"2022-09-04T14:37:28.873903Z","updated_at":"2022-09-04T14:37:28.873930Z","structure_string":"Zr1 C1\n1.0\n2.548989 2.548989 -0.000000\n2.548989 -0.000000 -2.548989\n-0.000000 2.548989 -2.548989\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 C\n","nsites":2,"nelements":2,"elements":["Zr","C"],"chemical_system":"C-Zr","density":5.175364207566751,"density_atomic":0.06038041812104535,"volume":33.12332147138458,"volume_molar":9.973665216970414,"formula_full":"Zr1 C1","formula_reduced":"ZrC","formula_anonymous":"AB","energy_above_hull":3.2677672500000003,"spacegroup":216},{"id":"jvasp-36542","created_at":"2022-09-04T14:37:20.068911Z","updated_at":"2022-09-04T14:37:20.068938Z","structure_string":"Zr2 C2\n1.0\n1.686715 -2.921477 -0.000000\n1.686715 2.921477 0.000000\n-0.000000 0.000000 5.328005\nZr C\n2 2\ndirect\n0.333334 0.666669 0.250000 Zr\n0.666669 0.333334 0.750001 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":4,"nelements":2,"elements":["Zr","C"],"chemical_system":"C-Zr","density":6.5292905526341025,"density_atomic":0.07617653131067173,"volume":52.509610652744854,"volume_molar":7.905506665090624,"formula_full":"Zr2 C2","formula_reduced":"ZrC","formula_anonymous":"AB","energy_above_hull":3.0497372500000006,"spacegroup":194},{"id":"jvasp-15060","created_at":"2022-09-04T14:37:07.249853Z","updated_at":"2022-09-04T14:37:07.249873Z","structure_string":"Zr1 C1\n1.0\n2.889765 -0.000000 1.668406\n0.963255 2.724497 1.668406\n0.000000 0.000000 3.336814\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500001 0.500000 C\n","nsites":2,"nelements":2,"elements":["Zr","C"],"chemical_system":"C-Zr","density":6.525201657014605,"density_atomic":0.07612882660482753,"volume":26.27125740925547,"volume_molar":7.91046050303647,"formula_full":"Zr1 C1","formula_reduced":"ZrC","formula_anonymous":"AB","energy_above_hull":2.9590222500000003,"spacegroup":225},{"id":"jvasp-117894","created_at":"2022-09-04T14:38:48.732687Z","updated_at":"2022-09-04T14:38:48.732714Z","structure_string":"Zr1 C1 Cl1\n1.0\n4.422357 -0.000000 0.000000\n-2.211178 3.829873 -0.000000\n0.000000 -0.000000 3.173686\nZr C Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Zr\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n","nsites":3,"nelements":3,"elements":["Zr","C","Cl"],"chemical_system":"C-Cl-Zr","density":4.28434973904649,"density_atomic":0.05581091301360574,"volume":53.752928200057426,"volume_molar":10.790256662763975,"formula_full":"Zr1 C1 Cl1","formula_reduced":"ZrCCl","formula_anonymous":"ABC","energy_above_hull":3.394246189166666,"spacegroup":187},{"id":"jvasp-117893","created_at":"2022-09-04T14:38:53.616336Z","updated_at":"2022-09-04T14:38:53.616363Z","structure_string":"Zr1 C1 Cl2\n1.0\n3.333732 0.000000 -0.000000\n0.000000 3.333732 0.000000\n-0.000000 0.000000 7.217766\nZr C Cl\n1 1 2\ndirect\n0.500000 0.500000 0.756680 Zr\n0.000000 0.000000 0.720445 C\n0.000000 0.000000 0.454977 Cl\n0.500000 0.500000 0.077899 Cl\n","nsites":4,"nelements":3,"elements":["Zr","C","Cl"],"chemical_system":"C-Cl-Zr","density":3.6048335605821116,"density_atomic":0.049865000257147386,"volume":80.21658436523644,"volume_molar":12.076889058346728,"formula_full":"Zr1 C1 Cl2","formula_reduced":"ZrCCl2","formula_anonymous":"ABC2","energy_above_hull":2.46918315875,"spacegroup":99},{"id":"jvasp-36661","created_at":"2022-09-04T14:37:30.499256Z","updated_at":"2022-09-04T14:37:30.499276Z","structure_string":"Zr2 Cd2\n1.0\n3.125075 0.000000 -0.000000\n0.000000 3.125075 0.000000\n-0.000000 0.000000 9.001111\nZr Cd\n2 2\ndirect\n0.499999 0.000000 0.872920 Zr\n0.000000 0.499999 0.127080 Zr\n0.499999 0.000000 0.379425 Cd\n0.000000 0.499999 0.620575 Cd\n","nsites":4,"nelements":2,"elements":["Zr","Cd"],"chemical_system":"Cd-Zr","density":7.693332654727198,"density_atomic":0.045503309525653686,"volume":87.90569393078749,"volume_molar":13.234511561417,"formula_full":"Zr2 Cd2","formula_reduced":"ZrCd","formula_anonymous":"AB","energy_above_hull":0.9894315,"spacegroup":129},{"id":"jvasp-30112","created_at":"2022-09-04T14:37:59.347236Z","updated_at":"2022-09-04T14:37:59.347262Z","structure_string":"Zr2 Cd4 H24 O12 F16\n1.0\n5.788147 -0.030025 4.141174\n-6.958974 11.742629 0.000000\n-5.788147 0.030025 4.141174\nZr Cd H O F\n2 4 24 12 16\ndirect\n0.515970 0.750000 0.515970 Zr\n0.484029 0.250000 0.484029 Zr\n0.084104 0.786848 0.657843 Cd\n0.657843 0.713153 0.084104 Cd\n0.915895 0.213152 0.342156 Cd\n0.342156 0.286848 0.915895 Cd\n0.964428 0.112195 0.030156 H\n0.030156 0.387805 0.964428 H\n0.309782 0.950880 0.356826 H\n0.356827 0.549120 0.309781 H\n0.180430 0.019403 0.376025 H\n0.643173 0.450880 0.690217 H\n0.969844 0.612195 0.035571 H\n0.376025 0.480597 0.180430 H\n0.623974 0.519404 0.819568 H\n0.690218 0.049120 0.643172 H\n0.035571 0.887805 0.969843 H\n0.819569 0.980597 0.623974 H\n-0.000220 0.098655 0.833833 H\n0.002432 0.641477 0.333716 H\n0.333716 0.858523 0.002432 H\n0.833833 0.401345 -0.000220 H\n0.666283 0.141477 0.997567 H\n0.799465 0.527618 0.338427 H\n0.997567 0.358523 0.666283 H\n0.200534 0.472382 0.661572 H\n0.661572 0.027618 0.200534 H\n0.000220 0.901345 0.166166 H\n0.166167 0.598655 0.000219 H\n0.338428 0.972382 0.799465 H\n0.626574 0.444808 0.829508 O\n0.829508 0.055192 0.626573 O\n0.373426 0.555192 0.170491 O\n0.170492 0.944808 0.373425 O\n0.958054 0.375036 0.076192 O\n0.076192 0.124965 0.958054 O\n0.041945 0.624965 0.923807 O\n0.756826 0.101251 0.119023 O\n0.119023 0.398749 0.756826 O\n0.243173 0.898749 0.880976 O\n0.880976 0.601251 0.243173 O\n0.923807 0.875036 0.041945 O\n0.506428 0.919823 0.353391 F\n0.353392 0.580177 0.506427 F\n0.541970 0.223083 0.811755 F\n0.811755 0.276917 0.541970 F\n0.458029 0.776917 0.188244 F\n0.188245 0.723083 0.458029 F\n0.543306 0.212112 0.248106 F\n0.751893 0.712112 0.456693 F\n0.456694 0.787888 0.751893 F\n0.384846 0.359872 0.183295 F\n0.183295 0.140128 0.384846 F\n0.615153 0.640128 0.816704 F\n0.816704 0.859872 0.615153 F\n0.646608 0.419823 0.493572 F\n0.248106 0.287888 0.543306 F\n0.493572 0.080177 0.646607 F\n","nsites":58,"nelements":5,"elements":["Zr","Cd","H","O","F"],"chemical_system":"Cd-F-H-O-Zr","density":3.4093729731275126,"density_atomic":0.10334911559908412,"volume":561.2046089005332,"volume_molar":5.8269881895857925,"formula_full":"Zr2 Cd4 H24 O12 F16","formula_reduced":"ZrCd2H12(O3F4)2","formula_anonymous":"AB2C6D8E12","energy_above_hull":1.9167416296551725,"spacegroup":15},{"id":"jvasp-16483","created_at":"2022-09-04T14:37:56.366193Z","updated_at":"2022-09-04T14:37:56.366204Z","structure_string":"Zr1 Cd3\n1.0\n4.405937 0.000000 0.000000\n0.000000 4.405937 0.000000\n0.000000 0.000000 4.405161\nZr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n","nsites":4,"nelements":2,"elements":["Zr","Cd"],"chemical_system":"Cd-Zr","density":8.319897742788593,"density_atomic":0.046775844794874545,"volume":85.51422251251995,"volume_molar":12.874467123808902,"formula_full":"Zr1 Cd3","formula_reduced":"ZrCd3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-106629","created_at":"2022-09-04T14:36:54.444345Z","updated_at":"2022-09-04T14:36:54.444373Z","structure_string":"Zr1 Cd1 Ag2\n1.0\n4.134828 -0.000000 2.387244\n1.378276 3.898354 2.387244\n-0.000000 -0.000000 4.774489\nZr Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.499999 Cd\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.749999 Ag\n","nsites":4,"nelements":3,"elements":["Zr","Cd","Ag"],"chemical_system":"Ag-Cd-Zr","density":9.048618691691066,"density_atomic":0.05197498490718436,"volume":76.96009930821724,"volume_molar":11.58661377344157,"formula_full":"Zr1 Cd1 Ag2","formula_reduced":"ZrCdAg2","formula_anonymous":"ABC2","energy_above_hull":0.4355596925,"spacegroup":225},{"id":"jvasp-38841","created_at":"2022-09-04T14:37:50.630417Z","updated_at":"2022-09-04T14:37:50.630437Z","structure_string":"Zr1 Cd1 Au2\n1.0\n-0.000000 3.383709 3.383709\n3.383709 -0.000000 3.383709\n3.383709 3.383709 0.000000\nZr Cd Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Zr\n0.250001 0.250001 0.250001 Cd\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Cd","Au"],"chemical_system":"Au-Cd-Zr","density":12.80641334968585,"density_atomic":0.051623919646936064,"volume":77.48346168513774,"volume_molar":11.665407820999157,"formula_full":"Zr1 Cd1 Au2","formula_reduced":"ZrCdAu2","formula_anonymous":"ABC2","energy_above_hull":0.6923023475000001,"spacegroup":225}]}