{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=volume_molar&page=14","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=volume_molar&page=12","results":[{"id":"oqmd-1104445","created_at":"2022-09-04T15:35:06.631353Z","updated_at":"2022-09-04T15:35:06.631365Z","structure_string":"H1 F1\n1.0\n0.000000 1.688269 1.688269\n1.688269 0.000000 1.688269\n1.688269 1.688269 0.000000\nF H\n1 1\ndirect\n0.000000 0.000000 0.000000 F\n0.499997 0.499997 0.499997 H\n","nsites":2,"nelements":2,"elements":["F","H"],"chemical_system":"F-H","density":3.4519291900420224,"density_atomic":0.20781412450396972,"volume":9.623984918127139,"volume_molar":2.8978495924539356,"formula_full":"H1 F1","formula_reduced":"HF","formula_anonymous":"AB","formation_energy":-0.505938285657641,"spacegroup":225},{"id":"oqmd-324112","created_at":"2022-09-04T14:50:58.756206Z","updated_at":"2022-09-04T14:50:58.756230Z","structure_string":"Cr2 H6\n1.0\n4.021445 0.000000 0.000000\n-2.010722 3.482674 0.000000\n0.000000 0.000000 2.749219\nCr H\n2 6\ndirect\n0.666666 0.333333 0.249998 Cr\n0.333333 0.666666 0.749998 Cr\n0.169552 0.339104 0.249998 H\n0.169554 0.830448 0.249998 H\n0.660894 0.830448 0.249998 H\n0.339108 0.169554 0.749998 H\n0.830447 0.169554 0.749998 H\n0.830447 0.660894 0.749998 H\n","nsites":8,"nelements":2,"elements":["Cr","H"],"chemical_system":"Cr-H","density":4.745639606907888,"density_atomic":0.20777136512671507,"volume":38.50386214250929,"volume_molar":2.8984459703228262,"formula_full":"Cr2 H6","formula_reduced":"CrH3","formula_anonymous":"AB3","formation_energy":0.203265622111869,"spacegroup":194},{"id":"oqmd-1104863","created_at":"2022-09-04T15:35:16.987366Z","updated_at":"2022-09-04T15:35:16.987377Z","structure_string":"H1 N1\n1.0\n0.000000 1.689739 1.689739\n1.689739 0.000000 1.689739\n1.689739 1.689739 0.000000\nH N\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":2.583896667379595,"density_atomic":0.20727222824699396,"volume":9.649146038111382,"volume_molar":2.9054257827651533,"formula_full":"H1 N1","formula_reduced":"HN","formula_anonymous":"AB","formation_energy":2.36039151623616,"spacegroup":225},{"id":"oqmd-346216","created_at":"2022-09-04T14:51:07.841864Z","updated_at":"2022-09-04T14:51:07.841890Z","structure_string":"Li1 H3\n1.0\n2.682636 0.000000 0.000000\n0.000000 2.682636 0.000000\n0.000000 0.000000 2.682636\nH Li\n3 1\ndirect\n0.499997 0.499997 0.000000 H\n0.499997 0.000000 0.499997 H\n0.000000 0.499997 0.499997 H\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":2,"elements":["H","Li"],"chemical_system":"H-Li","density":0.8571035829325695,"density_atomic":0.20719284138013555,"volume":19.305686303424075,"volume_molar":2.9065390096905963,"formula_full":"Li1 H3","formula_reduced":"LiH3","formula_anonymous":"AB3","formation_energy":0.585574843361869,"spacegroup":221},{"id":"oqmd-1602938","created_at":"2022-09-04T16:00:00.463382Z","updated_at":"2022-09-04T16:00:00.463408Z","structure_string":"B1 H5\n1.0\n2.631405 0.000000 0.000000\n-1.315702 2.278863 0.000000\n0.000000 0.000000 4.832655\nB H\n1 5\ndirect\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n","nsites":6,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":0.9082509039857932,"density_atomic":0.20704252018232158,"volume":28.979554512360078,"volume_molar":2.9086492739254255,"formula_full":"B1 H5","formula_reduced":"BH5","formula_anonymous":"AB5","formation_energy":1.137626293179854,"spacegroup":191},{"id":"oqmd-328187","created_at":"2022-09-04T15:04:07.837332Z","updated_at":"2022-09-04T15:04:07.837364Z","structure_string":"H1 C1\n1.0\n1.032897 0.596343 2.629555\n-1.032897 0.596343 2.629555\n0.000000 -1.192686 2.629555\nC H\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.500001 0.500001 0.500001 H\n","nsites":2,"nelements":2,"elements":["C","H"],"chemical_system":"C-H","density":2.224477739272968,"density_atomic":0.20579903996143692,"volume":9.718218318096937,"volume_molar":2.9262239323995103,"formula_full":"H1 C1","formula_reduced":"HC","formula_anonymous":"AB","formation_energy":2.71324479015791,"spacegroup":166},{"id":"oqmd-303853","created_at":"2022-09-04T14:49:48.524521Z","updated_at":"2022-09-04T14:49:48.524551Z","structure_string":"V1 H3\n1.0\n-1.507406 1.507406 2.141096\n1.507406 -1.507406 2.141096\n1.507406 1.507406 -2.141096\nH V\n3 1\ndirect\n0.500001 0.500001 0.000000 H\n0.749998 0.250000 0.499998 H\n0.250000 0.749998 0.499998 H\n0.000000 0.000000 0.000000 V\n","nsites":4,"nelements":2,"elements":["H","V"],"chemical_system":"H-V","density":4.604762584944189,"density_atomic":0.20554332643629977,"volume":19.460617230205457,"volume_molar":2.9298644059194645,"formula_full":"V1 H3","formula_reduced":"VH3","formula_anonymous":"AB3","formation_energy":0.124709538361869,"spacegroup":225},{"id":"oqmd-314395","created_at":"2022-09-04T14:50:33.619082Z","updated_at":"2022-09-04T14:50:33.619116Z","structure_string":"V1 H3\n1.0\n0.000000 2.135143 2.135143\n2.135143 0.000000 2.135143\n2.135143 2.135143 0.000000\nH V\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250002 0.250002 0.250002 H\n0.499999 0.499999 0.499999 H\n0.750001 0.750001 0.750001 V\n","nsites":4,"nelements":2,"elements":["H","V"],"chemical_system":"H-V","density":4.603127003681442,"density_atomic":0.20547031880404934,"volume":19.46753196900753,"volume_molar":2.930905444179083,"formula_full":"V1 H3","formula_reduced":"VH3","formula_anonymous":"AB3","formation_energy":0.12460346586187,"spacegroup":225},{"id":"oqmd-1281552","created_at":"2022-09-04T15:42:17.918930Z","updated_at":"2022-09-04T15:42:17.918951Z","structure_string":"Sc2 Cu2 O4\n1.0\n1.417458 -3.837310 0.000000\n1.417458 3.837310 0.000000\n0.000000 0.000000 3.579138\nCu O Sc\n2 4 2\ndirect\n0.497797 0.502203 0.250000 Cu\n0.502203 0.497797 0.750000 Cu\n0.605846 0.394154 0.003585 O\n0.605846 0.394154 0.496415 O\n0.394154 0.605846 0.503585 O\n0.394154 0.605846 0.996415 O\n0.199540 0.800460 0.250000 Sc\n0.800460 0.199540 0.750000 Sc\n","nsites":8,"nelements":3,"elements":["Cu","O","Sc"],"chemical_system":"Cu-O-Sc","density":11.984284048547183,"density_atomic":0.2054681273732323,"volume":38.93547920193004,"volume_molar":2.9309367039009397,"formula_full":"Sc2 Cu2 O4","formula_reduced":"ScCuO2","formula_anonymous":"ABC2","formation_energy":-2.27516863586113,"spacegroup":63},{"id":"oqmd-1729546","created_at":"2022-09-04T16:03:16.596957Z","updated_at":"2022-09-04T16:03:16.596986Z","structure_string":"Fe2 H6 C1\n1.0\n0.000000 2.798144 2.798144\n2.798144 0.000000 2.798144\n2.798144 2.798144 0.000000\nC Fe H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.723395 0.276605 0.276605 H\n0.276605 0.723395 0.276605 H\n0.723395 0.723395 0.276605 H\n0.276605 0.276605 0.723395 H\n0.723395 0.276605 0.723395 H\n0.276605 0.723395 0.723395 H\n","nsites":9,"nelements":3,"elements":["C","Fe","H"],"chemical_system":"C-Fe-H","density":4.917119125375009,"density_atomic":0.2054008950344688,"volume":43.81675161877795,"volume_molar":2.9318960654915407,"formula_full":"Fe2 H6 C1","formula_reduced":"Fe2H6C","formula_anonymous":"AB2C6","formation_energy":0.9716420477105498,"spacegroup":225},{"id":"oqmd-308133","created_at":"2022-09-04T15:15:52.980679Z","updated_at":"2022-09-04T15:15:52.980710Z","structure_string":"H3 F1\n1.0\n0.004073 2.138038 2.138038\n2.138038 0.004073 2.138038\n2.138038 2.138038 0.004073\nF H\n1 3\ndirect\n0.750002 0.750002 0.750002 F\n0.250003 0.250003 0.250003 H\n0.500123 0.500123 0.500123 H\n0.999879 0.999879 0.999879 H\n","nsites":4,"nelements":2,"elements":["F","H"],"chemical_system":"F-H","density":1.8761898638657228,"density_atomic":0.2052232302611337,"volume":19.490970856029556,"volume_molar":2.934434251101692,"formula_full":"H3 F1","formula_reduced":"H3F","formula_anonymous":"AB3","formation_energy":0.970725786079092,"spacegroup":225},{"id":"oqmd-321730","created_at":"2022-09-04T14:50:53.940179Z","updated_at":"2022-09-04T14:50:53.940207Z","structure_string":"Li2 H6\n1.0\n3.983760 0.000000 0.000000\n-1.991880 3.450037 0.000000\n0.000000 0.000000 2.844248\nH Li\n6 2\ndirect\n0.128107 0.256215 0.249999 H\n0.128108 0.871895 0.249999 H\n0.743787 0.871895 0.249999 H\n0.256213 0.128106 0.750001 H\n0.871895 0.128106 0.750001 H\n0.871893 0.743786 0.750001 H\n0.666666 0.333333 0.249999 Li\n0.333333 0.666665 0.750001 Li\n","nsites":8,"nelements":2,"elements":["H","Li"],"chemical_system":"H-Li","density":0.8465725269819099,"density_atomic":0.20464710542872955,"volume":39.091684112708265,"volume_molar":2.942695303402311,"formula_full":"Li2 H6","formula_reduced":"LiH3","formula_anonymous":"AB3","formation_energy":0.539362640861869,"spacegroup":194}]}