{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=90","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=88","results":[{"id":"jvasp-3945","created_at":"2022-09-04T14:36:08.736505Z","updated_at":"2022-09-04T14:36:08.736525Z","structure_string":"Ca3 As1 Cl3\n1.0\n5.728250 0.000000 0.000000\n0.000000 5.728250 0.000000\n0.000000 0.000000 5.728250\nCa As Cl\n3 1 3\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n","nsites":7,"nelements":3,"elements":["Ca","As","Cl"],"chemical_system":"As-Ca-Cl","density":2.6637382843310813,"density_atomic":0.037241927359770874,"volume":187.96019691401565,"volume_molar":16.170325187050285,"formula_full":"Ca3 As1 Cl3","formula_reduced":"Ca3AsCl3","formula_anonymous":"AB3C3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-65745","created_at":"2022-09-04T14:35:44.897781Z","updated_at":"2022-09-04T14:35:44.897806Z","structure_string":"Ba1 Ca2 Sn1\n1.0\n4.248662 0.000000 0.000000\n0.000000 4.248662 -0.000000\n0.000000 -0.000000 8.596681\nBa Ca Sn\n1 2 1\ndirect\n0.500000 0.500000 0.704606 Ba\n0.000000 0.000000 0.045948 Ca\n0.500000 0.500000 0.297091 Ca\n0.000000 0.000000 0.452355 Sn\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Sn"],"chemical_system":"Ba-Ca-Sn","density":3.5975147871600974,"density_atomic":0.025776551495059585,"volume":155.1797958996436,"volume_molar":23.362864350393117,"formula_full":"Ba1 Ca2 Sn1","formula_reduced":"BaCa2Sn","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-65205","created_at":"2022-09-04T14:36:13.204803Z","updated_at":"2022-09-04T14:36:13.204834Z","structure_string":"Be1 Hg4 Pt1\n1.0\n0.000000 4.005721 4.005721\n4.005721 -0.000000 4.005721\n4.005721 4.005721 0.000000\nBe Hg Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125484 0.624838 0.624838 Hg\n0.624838 0.624838 0.624838 Hg\n0.624838 0.125484 0.624838 Hg\n0.624838 0.624838 0.125484 Hg\n0.250000 0.250000 0.250000 Pt\n","nsites":6,"nelements":3,"elements":["Be","Hg","Pt"],"chemical_system":"Be-Hg-Pt","density":13.00085402140521,"density_atomic":0.04667444505448163,"volume":128.55000189067886,"volume_molar":12.902436768065572,"formula_full":"Be1 Hg4 Pt1","formula_reduced":"BeHg4Pt","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-91840","created_at":"2022-09-04T14:36:17.300587Z","updated_at":"2022-09-04T14:36:17.300626Z","structure_string":"Cu1 Sn1 F6\n1.0\n4.536021 0.046335 3.157909\n1.673960 4.216099 3.157910\n0.067507 0.046335 5.526601\nCu Sn F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Sn\n0.249904 0.898489 0.603814 F\n0.898488 0.603816 0.249903 F\n0.396185 0.750097 0.101512 F\n0.101512 0.396187 0.750096 F\n0.750096 0.101513 0.396185 F\n0.603814 0.249905 0.898487 F\n","nsites":8,"nelements":3,"elements":["Cu","Sn","F"],"chemical_system":"Cu-F-Sn","density":4.732081865714296,"density_atomic":0.07695556468153375,"volume":103.95609509340238,"volume_molar":7.825477968905181,"formula_full":"Cu1 Sn1 F6","formula_reduced":"CuSnF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-64129","created_at":"2022-09-04T14:35:42.097982Z","updated_at":"2022-09-04T14:35:42.098000Z","structure_string":"K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n","nsites":3,"nelements":3,"elements":["K","Ba","Zn"],"chemical_system":"Ba-K-Zn","density":2.9705686615919946,"density_atomic":0.02219186768403066,"volume":135.18465605122591,"volume_molar":27.136700911088944,"formula_full":"K1 Ba1 Zn1","formula_reduced":"KBaZn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-97379","created_at":"2022-09-04T14:35:45.648813Z","updated_at":"2022-09-04T14:35:45.648832Z","structure_string":"K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n","nsites":24,"nelements":3,"elements":["K","Ga","Cl"],"chemical_system":"Cl-Ga-K","density":2.467699228220312,"density_atomic":0.035575876256239695,"volume":674.614444550487,"volume_molar":16.927596432551034,"formula_full":"K4 Ga4 Cl16","formula_reduced":"KGaCl4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":52},{"id":"jvasp-69363","created_at":"2022-09-04T14:36:17.401143Z","updated_at":"2022-09-04T14:36:17.401164Z","structure_string":"Ba2 Cd1 Cl1\n1.0\n-0.000000 4.161943 4.161943\n4.161943 0.000000 4.161943\n4.161943 4.161943 -0.000000\nBa Cd Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Cd","Cl"],"chemical_system":"Ba-Cd-Cl","density":4.866042896265823,"density_atomic":0.02774224556173957,"volume":144.18443492968566,"volume_molar":21.707474063690693,"formula_full":"Ba2 Cd1 Cl1","formula_reduced":"Ba2CdCl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-94125","created_at":"2022-09-04T14:36:00.870609Z","updated_at":"2022-09-04T14:36:00.870640Z","structure_string":"Li1 Mg6 Co1\n1.0\n6.807990 -1.824753 0.000000\n-4.985454 8.628629 0.000000\n0.000000 0.000000 3.228758\nLi Mg Co\n1 6 1\ndirect\n0.249918 0.874958 0.250000 Li\n0.750077 0.375042 0.250000 Mg\n0.750078 0.875036 0.250000 Mg\n0.250024 0.160855 0.750001 Mg\n0.250075 0.589195 0.750001 Mg\n0.821610 0.160791 0.750001 Mg\n0.678296 0.589162 0.750001 Mg\n0.249929 0.374964 0.250000 Co\n","nsites":8,"nelements":3,"elements":["Li","Mg","Co"],"chemical_system":"Co-Li-Mg","density":2.1930842865839564,"density_atomic":0.04990760727029276,"volume":160.2962040771279,"volume_molar":12.066578803076878,"formula_full":"Li1 Mg6 Co1","formula_reduced":"LiMg6Co","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-92936","created_at":"2022-09-04T14:35:45.323234Z","updated_at":"2022-09-04T14:35:45.323252Z","structure_string":"Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n","nsites":8,"nelements":3,"elements":["Rb","Mg","Ga"],"chemical_system":"Ga-Mg-Rb","density":2.287126172274002,"density_atomic":0.03660450241331852,"volume":218.5523493713496,"volume_molar":16.45191264178706,"formula_full":"Rb1 Mg6 Ga1","formula_reduced":"RbMg6Ga","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-85870","created_at":"2022-09-04T14:35:43.475959Z","updated_at":"2022-09-04T14:35:43.475979Z","structure_string":"La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n","nsites":6,"nelements":2,"elements":["La","Zn"],"chemical_system":"La-Zn","density":6.986283869665322,"density_atomic":0.05417621087535083,"volume":110.7497165832594,"volume_molar":11.115839706574905,"formula_full":"La1 Zn5","formula_reduced":"LaZn5","formula_anonymous":"AB5","energy_above_hull":0.0,"spacegroup":191},{"id":"jvasp-93194","created_at":"2022-09-04T14:35:52.819975Z","updated_at":"2022-09-04T14:35:52.819999Z","structure_string":"K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n","nsites":8,"nelements":3,"elements":["K","Mg","Nb"],"chemical_system":"K-Mg-Nb","density":2.353704362730945,"density_atomic":0.04081373566378451,"volume":196.0124421322865,"volume_molar":14.755181465399799,"formula_full":"K1 Mg6 Nb1","formula_reduced":"KMg6Nb","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-106199","created_at":"2022-09-04T14:37:47.078212Z","updated_at":"2022-09-04T14:37:47.078230Z","structure_string":"K3 Co1 F6\n1.0\n5.268639 -0.000000 3.041851\n1.756213 4.967321 3.041851\n-0.000000 -0.000000 6.083700\nK Co F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Co\n0.784136 0.215865 0.215864 F\n0.215864 0.784135 0.784135 F\n0.215864 0.784135 0.215865 F\n0.784136 0.215865 0.784135 F\n0.215864 0.215865 0.784135 F\n0.784135 0.784135 0.215865 F\n","nsites":10,"nelements":3,"elements":["K","Co","F"],"chemical_system":"Co-F-K","density":3.026814135781694,"density_atomic":0.06280750501593702,"volume":159.2166413466442,"volume_molar":9.588250255239274,"formula_full":"K3 Co1 F6","formula_reduced":"K3CoF6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225}]}