{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3521","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3519","results":[{"id":"jvasp-41566","created_at":"2022-09-04T14:37:50.697179Z","updated_at":"2022-09-04T14:37:50.697202Z","structure_string":"Lu2 Ag1 Au1\n1.0\n-0.000000 3.514252 3.514252\n3.514252 0.000000 3.514252\n3.514252 3.514252 0.000000\nLu Ag Au\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Lu\n0.000000 0.000000 0.000000 Lu\n0.249999 0.249999 0.249999 Ag\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Lu","Ag","Au"],"chemical_system":"Ag-Au-Lu","density":12.525883155029586,"density_atomic":0.04608199724869221,"volume":86.80179329930233,"volume_molar":13.068315436720587,"formula_full":"Lu2 Ag1 Au1","formula_reduced":"Lu2AgAu","formula_anonymous":"ABC2","energy_above_hull":0.5370965824999999,"spacegroup":225},{"id":"jvasp-76930","created_at":"2022-09-04T14:38:11.900611Z","updated_at":"2022-09-04T14:38:11.900642Z","structure_string":"Li2 Mg1 Ga1\n1.0\n-9.969821 -0.000000 -5.756079\n-9.817514 -0.082601 5.492276\n-6.556840 9.139978 -0.155378\nLi Mg Ga\n2 1 1\ndirect\n0.736978 -0.000000 -0.000000 Li\n0.263022 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 -0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ga"],"chemical_system":"Ga-Li-Mg","density":0.1756802455393294,"density_atomic":0.0039216797989243485,"volume":1019.971085119477,"volume_molar":153.56023614298581,"formula_full":"Li2 Mg1 Ga1","formula_reduced":"Li2MgGa","formula_anonymous":"ABC2","energy_above_hull":0.5370842343750001,"spacegroup":71},{"id":"jvasp-81240","created_at":"2022-09-04T14:37:17.798409Z","updated_at":"2022-09-04T14:37:17.798429Z","structure_string":"Li2 Mg1 Ga1\n1.0\n-9.969821 -0.000000 -5.756079\n-9.817514 -0.082601 5.492276\n-6.556840 9.139978 -0.155378\nLi Mg Ga\n2 1 1\ndirect\n0.736978 -0.000000 -0.000000 Li\n0.263022 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 -0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ga"],"chemical_system":"Ga-Li-Mg","density":0.1756802455393294,"density_atomic":0.0039216797989243485,"volume":1019.971085119477,"volume_molar":153.56023614298581,"formula_full":"Li2 Mg1 Ga1","formula_reduced":"Li2MgGa","formula_anonymous":"ABC2","energy_above_hull":0.5370842343750001,"spacegroup":71},{"id":"jvasp-104904","created_at":"2022-09-04T14:36:48.537532Z","updated_at":"2022-09-04T14:36:48.537558Z","structure_string":"Zn1 Cu2 Sn1 Se3 S1\n1.0\n5.184476 0.004860 -2.307184\n-1.049629 5.082820 -2.314085\n0.016313 0.000896 6.939852\nZn Cu Sn Se S\n1 2 1 3 1\ndirect\n0.254174 0.736833 0.495417 Zn\n0.022713 0.018106 0.014869 Cu\n0.725805 0.253920 0.486240 Cu\n0.496853 0.494162 0.001824 Sn\n0.890642 0.898108 0.263086 Se\n0.097162 0.627325 0.739618 Se\n0.642012 0.105510 0.740042 Se\n0.370642 0.366038 0.258911 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":5.2609700720021815,"density_atomic":0.04368797677685755,"volume":183.11674264205732,"volume_molar":13.784434996289544,"formula_full":"Zn1 Cu2 Sn1 Se3 S1","formula_reduced":"ZnCu2SnSe3S","formula_anonymous":"ABCD2E3","energy_above_hull":0.5369816375,"spacegroup":1},{"id":"jvasp-26796","created_at":"2022-09-04T14:37:07.046367Z","updated_at":"2022-09-04T14:37:07.046389Z","structure_string":"Li4 Mo2 F12\n1.0\n4.683627 0.000000 0.000000\n0.000000 4.683627 0.000000\n0.000000 0.000000 9.202718\nLi Mo F\n4 2 12\ndirect\n0.000000 0.000000 0.335886 Li\n0.000000 0.000000 0.664114 Li\n0.500000 0.500000 0.164114 Li\n0.500000 0.500000 0.835886 Li\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.697451 0.697451 0.662271 F\n0.302550 0.302550 0.662271 F\n0.697451 0.697451 0.337729 F\n0.197451 0.802550 0.162271 F\n0.802550 0.197451 0.162271 F\n0.302550 0.302550 0.337729 F\n0.197451 0.802550 0.837729 F\n0.296350 0.296350 0.000000 F\n0.796350 0.203650 0.500000 F\n0.703650 0.703650 0.000000 F\n0.802550 0.197451 0.837729 F\n0.203650 0.796350 0.500000 F\n","nsites":18,"nelements":3,"elements":["Li","Mo","F"],"chemical_system":"F-Li-Mo","density":3.6819896105499406,"density_atomic":0.08916446110836194,"volume":201.87415228276348,"volume_molar":6.753969782513761,"formula_full":"Li4 Mo2 F12","formula_reduced":"Li2MoF6","formula_anonymous":"AB2C6","energy_above_hull":0.5368008438888887,"spacegroup":136},{"id":"jvasp-70669","created_at":"2022-09-04T14:35:47.100372Z","updated_at":"2022-09-04T14:35:47.100386Z","structure_string":"Sr1 Be1 Bi1\n1.0\n2.182752 -3.780637 -0.000000\n2.182752 3.780637 0.000000\n0.000000 -0.000000 4.810595\nSr Be Bi\n1 1 1\ndirect\n0.666667 0.333332 0.330096 Sr\n-0.000000 -0.000000 0.842032 Be\n0.333332 0.666667 0.827874 Bi\n","nsites":3,"nelements":3,"elements":["Sr","Be","Bi"],"chemical_system":"Be-Bi-Sr","density":6.391785043387651,"density_atomic":0.037785318588989154,"volume":79.39591651012879,"volume_molar":15.93777949977345,"formula_full":"Sr1 Be1 Bi1","formula_reduced":"SrBeBi","formula_anonymous":"ABC","energy_above_hull":0.5366755699999999,"spacegroup":156},{"id":"jvasp-68386","created_at":"2022-09-04T14:36:13.088466Z","updated_at":"2022-09-04T14:36:13.088502Z","structure_string":"Be1 In2 Ge1\n1.0\n-2.061451 2.061451 4.926892\n2.061451 -2.061451 4.926892\n2.061451 2.061451 -4.926892\nBe In Ge\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["Be","In","Ge"],"chemical_system":"Be-Ge-In","density":6.1720958854877574,"density_atomic":0.04776182633167745,"volume":83.74889126354552,"volume_molar":12.608690292075135,"formula_full":"Be1 In2 Ge1","formula_reduced":"BeIn2Ge","formula_anonymous":"ABC2","energy_above_hull":0.5364629975,"spacegroup":119},{"id":"jvasp-41691","created_at":"2022-09-04T14:37:39.233713Z","updated_at":"2022-09-04T14:37:39.233747Z","structure_string":"Yb2 Ag1 Ir1\n1.0\n-0.000000 3.432844 3.432844\n3.432844 -0.000000 3.432844\n3.432844 3.432844 0.000000\nYb Ag Ir\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ir\n","nsites":4,"nelements":3,"elements":["Yb","Ag","Ir"],"chemical_system":"Ag-Ir-Yb","density":13.261738572630351,"density_atomic":0.04943878527305448,"volume":80.90813675756131,"volume_molar":12.181004704584105,"formula_full":"Yb2 Ag1 Ir1","formula_reduced":"Yb2AgIr","formula_anonymous":"ABC2","energy_above_hull":0.5361999399999999,"spacegroup":225},{"id":"jvasp-16679","created_at":"2022-09-04T14:38:29.134532Z","updated_at":"2022-09-04T14:38:29.134549Z","structure_string":"Ho4 Ni4\n1.0\n4.189490 0.000000 0.000000\n-0.000000 5.347250 0.000000\n0.000000 0.000000 6.903819\nHo Ni\n4 4\ndirect\n0.250000 0.364844 0.680787 Ho\n0.750000 0.635157 0.319214 Ho\n0.750000 0.864844 0.819214 Ho\n0.250000 0.135156 0.180787 Ho\n0.250000 0.866745 0.538601 Ni\n0.750000 0.133255 0.461399 Ni\n0.750000 0.366745 0.961399 Ni\n0.250000 0.633255 0.038601 Ni\n","nsites":8,"nelements":2,"elements":["Ho","Ni"],"chemical_system":"Ho-Ni","density":9.60386203289999,"density_atomic":0.05172600565067991,"volume":154.66108197153716,"volume_molar":11.642385071581188,"formula_full":"Ho4 Ni4","formula_reduced":"HoNi","formula_anonymous":"AB","energy_above_hull":0.5361239833333331,"spacegroup":62},{"id":"jvasp-20417","created_at":"2022-09-04T14:37:39.254119Z","updated_at":"2022-09-04T14:37:39.254138Z","structure_string":"Sm1 Zn1\n1.0\n3.617703 0.000000 -0.000000\n-0.000000 3.617703 -0.000000\n-0.000000 0.000000 3.617703\nSm Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Sm","Zn"],"chemical_system":"Sm-Zn","density":7.567273246862536,"density_atomic":0.04224071546676014,"volume":47.347682867110294,"volume_molar":14.256720544278929,"formula_full":"Sm1 Zn1","formula_reduced":"SmZn","formula_anonymous":"AB","energy_above_hull":0.53587655,"spacegroup":221},{"id":"jvasp-20605","created_at":"2022-09-04T14:38:11.390798Z","updated_at":"2022-09-04T14:38:11.390822Z","structure_string":"Sm1 Zn1\n1.0\n3.617703 -0.000000 0.000000\n-0.000000 3.617703 0.000000\n0.000000 -0.000000 3.617703\nSm Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Sm","Zn"],"chemical_system":"Sm-Zn","density":7.567273246862536,"density_atomic":0.04224071546676014,"volume":47.347682867110294,"volume_molar":14.256720544278929,"formula_full":"Sm1 Zn1","formula_reduced":"SmZn","formula_anonymous":"AB","energy_above_hull":0.53587655,"spacegroup":221},{"id":"jvasp-110289","created_at":"2022-09-04T14:38:18.751789Z","updated_at":"2022-09-04T14:38:18.751808Z","structure_string":"Au1 O2 F6\n1.0\n4.104289 -0.284453 -1.035418\n-1.387292 5.564490 0.757696\n0.463560 0.735967 5.415890\nAu O F\n1 2 6\ndirect\n0.003716 0.008183 0.992674 Au\n0.331264 0.627936 0.639472 O\n0.676432 0.388541 0.345863 O\n0.416714 0.248615 0.872424 F\n0.211639 0.998562 0.335496 F\n0.985958 0.440092 0.269424 F\n0.590704 0.767737 0.112907 F\n0.795812 0.017824 0.649842 F\n0.021767 0.576512 0.715901 F\n","nsites":9,"nelements":3,"elements":["Au","O","F"],"chemical_system":"Au-F-O","density":4.634090627129543,"density_atomic":0.07323518750494559,"volume":122.8917451654265,"volume_molar":8.223015418091643,"formula_full":"Au1 O2 F6","formula_reduced":"Au(OF3)2","formula_anonymous":"AB2C6","energy_above_hull":0.5357151405555558,"spacegroup":2}]}