{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4627","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4625","results":[{"id":"jvasp-8024","created_at":"2022-09-04T14:37:00.692378Z","updated_at":"2022-09-04T14:37:00.692411Z","structure_string":"Zr1 Rh1\n1.0\n3.292680 -0.000000 0.000000\n0.000000 3.292680 0.000000\n0.000000 -0.000000 3.292680\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n","nsites":2,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":9.03008953058876,"density_atomic":0.056024942368265065,"volume":35.698385673536826,"volume_molar":10.749035171540308,"formula_full":"Zr1 Rh1","formula_reduced":"ZrRh","formula_anonymous":"AB","energy_above_hull":2.0033687500000004,"spacegroup":221},{"id":"jvasp-7997","created_at":"2022-09-04T14:37:06.893292Z","updated_at":"2022-09-04T14:37:06.893312Z","structure_string":"Zr1 Rh3\n1.0\n3.956063 0.000000 0.000000\n0.000000 3.956063 0.000000\n-0.000000 -0.000000 3.956063\nZr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":10.72642215812775,"density_atomic":0.06460563419783821,"volume":61.914104701008334,"volume_molar":9.321386338471246,"formula_full":"Zr1 Rh3","formula_reduced":"ZrRh3","formula_anonymous":"AB3","energy_above_hull":3.063728375,"spacegroup":221},{"id":"jvasp-14863","created_at":"2022-09-04T14:36:03.904740Z","updated_at":"2022-09-04T14:36:03.904771Z","structure_string":"Zr1 Ru1\n1.0\n3.270084 -0.000000 -0.000000\n-0.000000 3.270084 -0.000000\n0.000000 0.000000 3.270084\nZr Ru\n1 1\ndirect\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Ru\n","nsites":2,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":9.131415504977113,"density_atomic":0.05719436854818378,"volume":34.96847768001996,"volume_molar":10.529254737599922,"formula_full":"Zr1 Ru1","formula_reduced":"ZrRu","formula_anonymous":"AB","energy_above_hull":2.589107500000001,"spacegroup":221},{"id":"jvasp-123434","created_at":"2022-09-04T14:38:50.976603Z","updated_at":"2022-09-04T14:38:50.976627Z","structure_string":"Zr1 Ru1\n1.0\n1.589837 -2.753676 0.000000\n1.589837 2.753676 0.000000\n-0.000000 0.000000 4.140095\nZr Ru\n1 1\ndirect\n0.333334 0.666668 0.749999 Zr\n0.666668 0.333334 0.250000 Ru\n","nsites":2,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":8.80864462326659,"density_atomic":0.055172702054625156,"volume":36.24981060416161,"volume_molar":10.915073099080093,"formula_full":"Zr1 Ru1","formula_reduced":"ZrRu","formula_anonymous":"AB","energy_above_hull":2.8504575000000005,"spacegroup":187},{"id":"jvasp-36665","created_at":"2022-09-04T14:37:32.113336Z","updated_at":"2022-09-04T14:37:32.113362Z","structure_string":"Zr1 Ru3\n1.0\n3.961353 0.000000 -0.000000\n-0.000000 3.961353 0.000000\n0.000000 -0.000000 3.961353\nZr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":10.536413538755271,"density_atomic":0.06434715613550711,"volume":62.16280936451173,"volume_molar":9.358829700753395,"formula_full":"Zr1 Ru3","formula_reduced":"ZrRu3","formula_anonymous":"AB3","energy_above_hull":4.400399,"spacegroup":221},{"id":"jvasp-16317","created_at":"2022-09-04T14:37:53.705914Z","updated_at":"2022-09-04T14:37:53.705936Z","structure_string":"Zr1 Ru3 C1\n1.0\n4.096368 -0.000000 0.000000\n0.000000 4.096368 0.000000\n-0.000000 -0.000000 4.096368\nZr Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Zr","Ru","C"],"chemical_system":"C-Ru-Zr","density":9.818692693669439,"density_atomic":0.07273996868564757,"volume":68.73800044660395,"volume_molar":8.278998285007836,"formula_full":"Zr1 Ru3 C1","formula_reduced":"ZrRu3C","formula_anonymous":"ABC3","energy_above_hull":5.0107892,"spacegroup":221},{"id":"jvasp-20512","created_at":"2022-09-04T14:38:30.354226Z","updated_at":"2022-09-04T14:38:30.354261Z","structure_string":"Zr1 S1\n1.0\n3.211023 -0.000000 1.853885\n1.070341 3.027381 1.853885\n0.000000 0.000000 3.707770\nZr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500000 0.499999 S\n","nsites":2,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":5.680023649970759,"density_atomic":0.05548897622995354,"volume":36.04319516928443,"volume_molar":10.852859737479143,"formula_full":"Zr1 S1","formula_reduced":"ZrS","formula_anonymous":"AB","energy_above_hull":1.3200572500000003,"spacegroup":225},{"id":"jvasp-353","created_at":"2022-09-04T14:37:51.027665Z","updated_at":"2022-09-04T14:37:51.027693Z","structure_string":"Zr2 S2\n1.0\n3.621791 0.000000 0.000000\n0.000000 3.621791 0.000000\n0.000000 0.000000 5.518336\nZr S\n2 2\ndirect\n0.000000 0.500000 0.810710 Zr\n0.500000 0.000000 0.189291 Zr\n0.000000 0.500000 0.296027 S\n0.500000 0.000000 0.703973 S\n","nsites":4,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":5.656509391635174,"density_atomic":0.05525926202412361,"volume":72.38605535943978,"volume_molar":10.897975360892469,"formula_full":"Zr2 S2","formula_reduced":"ZrS","formula_anonymous":"AB","energy_above_hull":1.2748222500000002,"spacegroup":129},{"id":"jvasp-14933","created_at":"2022-09-04T14:36:10.121212Z","updated_at":"2022-09-04T14:36:10.121239Z","structure_string":"Zr2 S2\n1.0\n3.621786 0.000000 0.000000\n0.000000 3.621786 -0.000000\n0.000000 0.000000 5.518341\nZr S\n2 2\ndirect\n0.500001 0.000000 0.810708 Zr\n0.000000 0.500001 0.189291 Zr\n0.500001 0.000000 0.296027 S\n0.000000 0.500001 0.703973 S\n","nsites":4,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":5.65651988445274,"density_atomic":0.055259364529982806,"volume":72.3859210836503,"volume_molar":10.897955145199846,"formula_full":"Zr2 S2","formula_reduced":"ZrS","formula_anonymous":"AB","energy_above_hull":1.2748222500000002,"spacegroup":129},{"id":"jvasp-82","created_at":"2022-09-04T14:36:36.407598Z","updated_at":"2022-09-04T14:36:36.407620Z","structure_string":"Zr1 S2\n1.0\n1.840392 -3.187651 0.000000\n1.840392 3.187651 -0.000000\n-0.000000 0.000000 5.859557\nZr S\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.751909 S\n0.333333 0.666667 0.248092 S\n","nsites":3,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":3.7522835977580384,"density_atomic":0.043636044141020694,"volume":68.75050337525455,"volume_molar":13.800840288221266,"formula_full":"Zr1 S2","formula_reduced":"ZrS2","formula_anonymous":"AB2","energy_above_hull":1.8375215,"spacegroup":164},{"id":"jvasp-120717","created_at":"2022-09-04T14:38:53.747079Z","updated_at":"2022-09-04T14:38:53.747116Z","structure_string":"Zr2 S4 O18\n1.0\n5.123025 0.055079 0.331976\n-2.180600 6.731249 -2.164122\n-0.085619 -0.257465 9.257735\nZr S O\n2 4 18\ndirect\n0.207483 0.882598 0.722808 Zr\n0.792519 0.117403 0.277194 Zr\n0.815563 0.163854 0.912318 S\n0.184439 0.836147 0.087683 S\n0.316518 0.264735 0.552472 S\n0.683483 0.735266 0.447530 S\n0.437618 0.867340 0.177640 O\n0.562384 0.132661 0.822361 O\n0.721331 0.175565 0.072974 O\n0.278670 0.824436 0.927027 O\n0.529162 0.197533 0.451117 O\n0.470839 0.802468 0.548884 O\n0.105118 0.278006 0.455508 O\n0.894884 0.721995 0.544493 O\n0.555589 0.538546 0.337471 O\n0.186180 0.109022 0.624116 O\n0.889533 -0.030321 0.851498 O\n0.444413 0.461455 0.662530 O\n-0.037517 0.668236 0.092325 O\n0.037517 0.331765 0.907676 O\n-0.075567 0.429859 0.290781 O\n0.075567 0.570142 0.709220 O\n0.813821 0.890979 0.375885 O\n0.110468 0.030322 0.148503 O\n","nsites":24,"nelements":3,"elements":["Zr","S","O"],"chemical_system":"O-S-Zr","density":3.127348009344772,"density_atomic":0.07549724939133201,"volume":317.8923761261624,"volume_molar":7.976635981510889,"formula_full":"Zr2 S4 O18","formula_reduced":"ZrS2O9","formula_anonymous":"AB2C9","energy_above_hull":2.897946333333333,"spacegroup":2},{"id":"jvasp-368","created_at":"2022-09-04T14:37:30.661094Z","updated_at":"2022-09-04T14:37:30.661120Z","structure_string":"Zr2 S6\n1.0\n0.000000 5.168129 -0.009829\n3.648849 0.000000 0.000000\n0.000000 -1.117874 -8.977392\nZr S\n2 6\ndirect\n0.717195 0.250000 0.845279 Zr\n0.282806 0.750000 0.154720 Zr\n0.121924 0.250000 0.332242 S\n0.878077 0.750000 0.667758 S\n0.761904 0.750000 0.054496 S\n0.238097 0.250000 0.945504 S\n0.475516 0.750000 0.671601 S\n0.524485 0.250000 0.328399 S\n","nsites":8,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":3.6757879183933966,"density_atomic":0.04724411560433509,"volume":169.333257648407,"volume_molar":12.74685891135067,"formula_full":"Zr2 S6","formula_reduced":"ZrS3","formula_anonymous":"AB3","energy_above_hull":2.157803625,"spacegroup":11}]}