{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=volume&page=37","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=volume&page=35","results":[{"id":"oqmd-1215180","created_at":"2022-09-04T15:16:19.889006Z","updated_at":"2022-09-04T15:16:19.889016Z","structure_string":"Pd1\n1.0\n1.562330 1.562330 1.562330\n1.562330 -1.562330 -1.562330\n-1.562330 1.562330 -1.562330\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n","nsites":1,"nelements":1,"elements":["Pd"],"chemical_system":"Pd","density":11.58494680879977,"density_atomic":0.06555739560591499,"volume":15.253809135605348,"volume_molar":9.186058574078933,"formula_full":"Pd1","formula_reduced":"Pd","formula_anonymous":"A","formation_energy":0.0428415100000006,"spacegroup":229},{"id":"oqmd-1229414","created_at":"2022-09-04T15:39:19.158193Z","updated_at":"2022-09-04T15:39:19.158225Z","structure_string":"N1 F1\n1.0\n2.338572 -0.000000 0.000000\n-1.169285 2.025223 0.000000\n0.000000 0.000000 3.222147\nF N\n1 1\ndirect\n0.666653 0.333302 0.749997 F\n0.333351 0.666702 0.250001 N\n","nsites":2,"nelements":2,"elements":["F","N"],"chemical_system":"F-N","density":3.591379061112845,"density_atomic":0.13105724957110448,"volume":15.260506431694262,"volume_molar":4.595045890027408,"formula_full":"N1 F1","formula_reduced":"NF","formula_anonymous":"AB","formation_energy":2.21405445776269,"spacegroup":187},{"id":"oqmd-304523","created_at":"2022-09-04T15:24:53.091491Z","updated_at":"2022-09-04T15:24:53.091518Z","structure_string":"Co1 B1\n1.0\n2.480663 0.000000 0.000000\n0.000000 2.480663 0.000000\n0.000000 0.000000 2.480663\nB Co\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.499999 0.499999 0.499999 Co\n","nsites":2,"nelements":2,"elements":["B","Co"],"chemical_system":"B-Co","density":7.586716510741512,"density_atomic":0.131016709705203,"volume":15.265228416284792,"volume_molar":4.596467712820944,"formula_full":"Co1 B1","formula_reduced":"CoB","formula_anonymous":"AB","formation_energy":-0.135431984999999,"spacegroup":221},{"id":"oqmd-1442812","created_at":"2022-09-04T15:50:31.827268Z","updated_at":"2022-09-04T15:50:31.827304Z","structure_string":"Li1 F1\n1.0\n0.000000 1.970000 1.979264\n1.962744 0.000000 1.979264\n1.962744 1.970000 0.000000\nF Li\n1 1\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.499998 0.500000 Li\n","nsites":2,"nelements":2,"elements":["F","Li"],"chemical_system":"F-Li","density":2.8141385244263777,"density_atomic":0.1306671413171982,"volume":15.30606684923904,"volume_molar":4.608764452404359,"formula_full":"Li1 F1","formula_reduced":"LiF","formula_anonymous":"AB","formation_energy":-3.14281386956555,"spacegroup":225},{"id":"oqmd-327854","created_at":"2022-09-04T15:04:08.057927Z","updated_at":"2022-09-04T15:04:08.057956Z","structure_string":"Li1 F1\n1.0\n1.393038 0.804270 2.279962\n-1.393038 0.804270 2.279962\n0.000000 -1.608542 2.279962\nF Li\n1 1\ndirect\n0.000000 0.000000 0.000000 F\n0.500001 0.500001 0.500001 Li\n","nsites":2,"nelements":2,"elements":["F","Li"],"chemical_system":"F-Li","density":2.810379865212103,"density_atomic":0.13049261783498442,"volume":15.326537494474342,"volume_molar":4.61492830775711,"formula_full":"Li1 F1","formula_reduced":"LiF","formula_anonymous":"AB","formation_energy":-3.14355516456555,"spacegroup":225},{"id":"oqmd-305418","created_at":"2022-09-04T14:59:35.984008Z","updated_at":"2022-09-04T14:59:35.984018Z","structure_string":"Fe1 B1\n1.0\n2.484060 0.000000 0.000000\n0.000000 2.484060 0.000000\n0.000000 0.000000 2.484060\nB Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Fe\n","nsites":2,"nelements":2,"elements":["B","Fe"],"chemical_system":"B-Fe","density":7.221079078114529,"density_atomic":0.13047994077809855,"volume":15.328026576907416,"volume_molar":4.615376680957872,"formula_full":"Fe1 B1","formula_reduced":"FeB","formula_anonymous":"AB","formation_energy":-0.105015685,"spacegroup":221},{"id":"oqmd-336865","created_at":"2022-09-04T15:04:23.649736Z","updated_at":"2022-09-04T15:04:23.649777Z","structure_string":"Cr1 N1\n1.0\n1.756487 1.756487 0.000000\n0.000000 3.512974 0.000000\n0.000000 0.000000 2.485495\nCr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500001 0.499997 N\n","nsites":2,"nelements":2,"elements":["Cr","N"],"chemical_system":"Cr-N","density":7.146257944266211,"density_atomic":0.13040589569688438,"volume":15.336729902525285,"volume_molar":4.617997313555417,"formula_full":"Cr1 N1","formula_reduced":"CrN","formula_anonymous":"AB","formation_energy":0.104221807328248,"spacegroup":221},{"id":"oqmd-338569","created_at":"2022-09-04T15:24:55.076420Z","updated_at":"2022-09-04T15:24:55.076438Z","structure_string":"Co1 C1\n1.0\n1.754393 1.754393 0.000000\n0.000000 3.508786 0.000000\n0.000000 0.000000 2.491763\nC Co\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.000000 0.499999 0.499999 Co\n","nsites":2,"nelements":2,"elements":["C","Co"],"chemical_system":"C-Co","density":7.680219389098759,"density_atomic":0.13038856196101842,"volume":15.338768753335355,"volume_molar":4.618611225883761,"formula_full":"Co1 C1","formula_reduced":"CoC","formula_anonymous":"AB","formation_energy":1.25401127625,"spacegroup":221},{"id":"oqmd-336960","created_at":"2022-09-04T15:04:23.151299Z","updated_at":"2022-09-04T15:04:23.151322Z","structure_string":"Fe1 B1\n1.0\n1.757123 1.757123 0.000000\n0.000000 3.514245 0.000000\n0.000000 0.000000 2.484109\nB Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.499999 0.499998 Fe\n","nsites":2,"nelements":2,"elements":["B","Fe"],"chemical_system":"B-Fe","density":7.215783566859316,"density_atomic":0.13038425452573993,"volume":15.339275492081509,"volume_molar":4.618763808486656,"formula_full":"Fe1 B1","formula_reduced":"FeB","formula_anonymous":"AB","formation_energy":-0.09333043,"spacegroup":221},{"id":"oqmd-1105955","created_at":"2022-09-04T15:35:24.060775Z","updated_at":"2022-09-04T15:35:24.060798Z","structure_string":"Li1 F1\n1.0\n0.000000 1.972519 1.972519\n1.972519 0.000000 1.972519\n1.972519 1.972519 0.000000\nF Li\n1 1\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 Li\n","nsites":2,"nelements":2,"elements":["F","Li"],"chemical_system":"F-Li","density":2.8061798131166658,"density_atomic":0.13029759943204142,"volume":15.349476956734946,"volume_molar":4.6218355412917145,"formula_full":"Li1 F1","formula_reduced":"LiF","formula_anonymous":"AB","formation_energy":-3.14424197456555,"spacegroup":225},{"id":"oqmd-345353","created_at":"2022-09-04T15:16:00.427956Z","updated_at":"2022-09-04T15:16:00.427981Z","structure_string":"H3 O1\n1.0\n2.486610 0.000000 0.000000\n0.000000 2.486610 0.000000\n0.000000 0.000000 2.486610\nH O\n3 1\ndirect\n0.500002 0.500002 0.000000 H\n0.500002 0.000000 0.500002 H\n0.000000 0.500002 0.500002 H\n0.000000 0.000000 0.000000 O\n","nsites":4,"nelements":2,"elements":["H","O"],"chemical_system":"H-O","density":2.0545187088570898,"density_atomic":0.2601578673445728,"volume":15.375279790028785,"volume_molar":2.3148024779984144,"formula_full":"H3 O1","formula_reduced":"H3O","formula_anonymous":"AB3","formation_energy":1.03013515439218,"spacegroup":221},{"id":"oqmd-1215621","created_at":"2022-09-04T15:39:05.675589Z","updated_at":"2022-09-04T15:39:05.675633Z","structure_string":"O2\n1.0\n0.000000 0.000000 -2.600819\n1.719336 1.719336 1.300409\n1.719336 -1.719336 -1.300409\nO\n2\ndirect\n0.000000 0.000000 0.000000 O\n0.250002 0.499998 0.499998 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":3.455581587296872,"density_atomic":0.13006736961109466,"volume":15.376646779127308,"volume_molar":4.6300165660352635,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","formation_energy":1.66448989625,"spacegroup":141}]}