{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4406","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4404","results":[{"id":"jvasp-121001","created_at":"2022-09-04T14:38:49.803475Z","updated_at":"2022-09-04T14:38:49.803490Z","structure_string":"H1 O1 F1\n1.0\n3.286892 -0.000000 -0.000000\n-1.643446 2.846532 -0.000000\n0.000000 -0.000000 2.886402\nH O F\n1 1 1\ndirect\n0.333333 0.666668 0.000000 H\n0.666666 0.333334 0.000000 O\n0.000000 0.000000 0.000000 F\n","nsites":3,"nelements":3,"elements":["H","O","F"],"chemical_system":"F-H-O","density":2.2139232218046336,"density_atomic":0.11108692191762051,"volume":27.005879253947917,"volume_molar":5.421106873827938,"formula_full":"H1 O1 F1","formula_reduced":"HOF","formula_anonymous":"ABC","energy_above_hull":1.8023445941666667,"spacegroup":187},{"id":"jvasp-98639","created_at":"2022-09-04T14:35:47.269117Z","updated_at":"2022-09-04T14:35:47.269144Z","structure_string":"Li8 B8 H16 O8 F32\n1.0\n5.044995 0.000000 0.000000\n0.000000 10.128727 0.000000\n0.000000 0.000000 13.125799\nLi B H O F\n8 8 16 8 32\ndirect\n0.041266 0.750000 0.000000 Li\n0.458734 0.750000 0.500000 Li\n0.958735 0.250000 0.000000 Li\n0.541266 0.250000 0.500000 Li\n0.250000 0.864505 0.250000 Li\n0.250000 0.635496 0.750000 Li\n0.750001 0.135495 0.750000 Li\n0.750001 0.364505 0.250000 Li\n0.023666 0.124893 0.375338 B\n0.023666 0.375107 0.624662 B\n0.476334 0.124893 0.124662 B\n0.476334 0.375107 0.875338 B\n0.976335 0.875107 0.624662 B\n0.976335 0.624893 0.375338 B\n0.523667 0.875107 0.875338 B\n0.523667 0.624893 0.124662 B\n0.530362 0.032817 0.600003 H\n0.530362 0.467183 0.399997 H\n0.969639 0.032817 0.899997 H\n0.969639 0.467183 0.100003 H\n0.469639 0.967183 0.399997 H\n0.469639 0.532818 0.600003 H\n0.030361 0.967183 0.100003 H\n0.030361 0.532818 0.899997 H\n0.818287 0.874125 0.147223 H\n0.318287 0.374125 0.352777 H\n0.181714 0.125875 0.852777 H\n0.181714 0.374125 0.147223 H\n0.681714 0.874125 0.352777 H\n0.681714 0.625875 0.647223 H\n0.818287 0.625875 0.852777 H\n0.318287 0.125875 0.647223 H\n0.997387 0.123480 0.876001 O\n0.502614 0.123480 0.623999 O\n0.502614 0.376520 0.376001 O\n0.997387 0.376520 0.123999 O\n0.497387 0.876520 0.376001 O\n0.497387 0.623480 0.623999 O\n0.002614 0.876520 0.123999 O\n0.002614 0.623480 0.876001 O\n0.772848 0.873838 0.926088 F\n0.727154 0.626162 0.426088 F\n0.727154 0.873838 0.573912 F\n0.227153 0.373838 0.926088 F\n0.227153 0.126162 0.073912 F\n0.272847 0.373838 0.573912 F\n0.505051 0.738766 0.186812 F\n0.772848 0.626162 0.073912 F\n0.505051 0.761234 0.813188 F\n0.994950 0.738766 0.313188 F\n0.994950 0.761234 0.686812 F\n0.494950 0.261234 0.813188 F\n0.494950 0.238766 0.186812 F\n0.272847 0.126162 0.426088 F\n0.006302 0.010159 0.314545 F\n0.006302 0.489841 0.685455 F\n0.493698 0.010159 0.185455 F\n0.493698 0.489841 0.814545 F\n0.993699 0.989841 0.685455 F\n0.993699 0.510159 0.314545 F\n0.506303 0.989841 0.814545 F\n0.506303 0.510159 0.185455 F\n0.817647 0.124712 0.447977 F\n0.817647 0.375288 0.552023 F\n0.682354 0.124712 0.052023 F\n0.682354 0.375288 0.947977 F\n0.182354 0.875288 0.552023 F\n0.182354 0.624712 0.447977 F\n0.317647 0.875288 0.947977 F\n0.317647 0.624712 0.052023 F\n0.005051 0.261234 0.686812 F\n0.005051 0.238766 0.313188 F\n","nsites":72,"nelements":5,"elements":["Li","B","H","O","F"],"chemical_system":"B-F-H-Li-O","density":2.213541107190401,"density_atomic":0.10734730384274586,"volume":670.7201524639456,"volume_molar":5.609959956536863,"formula_full":"Li8 B8 H16 O8 F32","formula_reduced":"LiBH2OF4","formula_anonymous":"ABCD2E4","energy_above_hull":1.328285245925926,"spacegroup":52},{"id":"jvasp-113666","created_at":"2022-09-04T14:38:48.556496Z","updated_at":"2022-09-04T14:38:48.556520Z","structure_string":"Li2 Br1\n1.0\n3.680044 0.196544 -0.039845\n2.003323 -3.079570 -0.287546\n-0.186094 0.544827 -5.951908\nLi Br\n2 1\ndirect\n0.800074 0.560618 0.319563 Li\n0.460623 0.221132 0.780457 Li\n0.130345 0.890872 0.050002 Br\n","nsites":3,"nelements":2,"elements":["Li","Br"],"chemical_system":"Br-Li","density":2.2133254135920253,"density_atomic":0.0426362906817945,"volume":70.36259374413605,"volume_molar":14.124448125529423,"formula_full":"Li2 Br1","formula_reduced":"Li2Br","formula_anonymous":"AB2","energy_above_hull":0.4906266666666665,"spacegroup":164},{"id":"jvasp-94138","created_at":"2022-09-04T14:36:06.193524Z","updated_at":"2022-09-04T14:36:06.193558Z","structure_string":"Na1 Mg6 Co1\n1.0\n6.369643 -0.066719 0.000000\n-3.242602 5.482912 0.000000\n0.000000 0.000000 4.923416\nNa Mg Co\n1 6 1\ndirect\n0.326172 0.173828 0.750001 Na\n0.170412 0.815386 0.250000 Mg\n0.684614 0.329588 0.250000 Mg\n0.670349 0.829651 0.250000 Mg\n0.324694 0.642272 0.750001 Mg\n0.857728 0.175306 0.750001 Mg\n0.835902 0.664098 0.750001 Mg\n0.130130 0.369870 0.250000 Co\n","nsites":8,"nelements":3,"elements":["Na","Mg","Co"],"chemical_system":"Co-Mg-Na","density":2.21319104926611,"density_atomic":0.046816156528870924,"volume":170.88117848944952,"volume_molar":12.863381376226865,"formula_full":"Na1 Mg6 Co1","formula_reduced":"NaMg6Co","formula_anonymous":"ABC6","energy_above_hull":0.01590125,"spacegroup":38},{"id":"jvasp-25192","created_at":"2022-09-04T14:38:28.131028Z","updated_at":"2022-09-04T14:38:28.131052Z","structure_string":"S9\n1.0\n7.542710 0.000000 0.000000\n-3.771355 6.532178 0.000000\n-0.000000 0.000000 4.396727\nS\n9\ndirect\n0.113982 0.113982 0.500000 S\n0.454660 0.686401 0.737488 S\n0.686402 0.454660 0.262513 S\n0.886018 0.000000 0.166667 S\n0.231742 0.545341 0.070821 S\n0.313599 0.768259 0.404154 S\n0.545341 0.231742 0.929179 S\n0.768259 0.313599 0.595846 S\n0.000001 0.886018 0.833334 S\n","nsites":9,"nelements":1,"elements":["S"],"chemical_system":"S","density":2.2121161668356746,"density_atomic":0.041545844187618156,"volume":216.62816524696487,"volume_molar":14.49517004108625,"formula_full":"S9","formula_reduced":"S","formula_anonymous":"A","energy_above_hull":0.0173800000000001,"spacegroup":154},{"id":"jvasp-21215","created_at":"2022-09-04T14:36:05.833182Z","updated_at":"2022-09-04T14:36:05.833203Z","structure_string":"S9\n1.0\n7.542814 -0.000000 -0.000000\n-3.771407 6.532269 0.000000\n0.000000 -0.000000 4.396737\nS\n9\ndirect\n0.886011 0.886011 0.500000 S\n0.313228 0.545210 0.262793 S\n0.545209 0.313229 0.737208 S\n-0.000000 0.113989 0.833334 S\n0.454790 0.768019 0.929459 S\n0.231981 0.686772 0.596126 S\n0.768018 0.454790 0.070541 S\n0.686771 0.231981 0.403874 S\n0.113989 0.000000 0.166667 S\n","nsites":9,"nelements":1,"elements":["S"],"chemical_system":"S","density":2.2120498189298003,"density_atomic":0.041544598104884825,"volume":216.6346627611684,"volume_molar":14.495604807143183,"formula_full":"S9","formula_reduced":"S","formula_anonymous":"A","energy_above_hull":0.0173800000000001,"spacegroup":154},{"id":"jvasp-74416","created_at":"2022-09-04T14:36:10.617495Z","updated_at":"2022-09-04T14:36:10.617518Z","structure_string":"K1 Be2 Br1\n1.0\n-2.629569 2.629569 3.720025\n2.629569 -2.629569 3.720025\n2.629569 2.629569 -3.720025\nK Be Br\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Br\n","nsites":4,"nelements":3,"elements":["K","Be","Br"],"chemical_system":"Be-Br-K","density":2.2114605166530783,"density_atomic":0.03887630664662313,"volume":102.89043237463628,"volume_molar":15.490516665433017,"formula_full":"K1 Be2 Br1","formula_reduced":"KBe2Br","formula_anonymous":"ABC2","energy_above_hull":0.82002357625,"spacegroup":216},{"id":"jvasp-13159","created_at":"2022-09-04T14:36:53.298480Z","updated_at":"2022-09-04T14:36:53.298501Z","structure_string":"Li4 Cl4 O8\n1.0\n4.702958 -0.000000 -0.000000\n0.000000 4.702958 -0.000000\n0.000000 0.000000 10.102946\nLi Cl O\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.813280 Cl\n0.500000 0.000000 0.313280 Cl\n0.000000 0.500000 0.186720 Cl\n0.000000 0.500000 0.686720 Cl\n0.304380 0.804380 0.904805 O\n0.695620 0.804380 0.404805 O\n0.304380 0.195620 0.404805 O\n0.804380 0.695620 0.095195 O\n0.195620 0.304380 0.095195 O\n0.695620 0.195620 0.904805 O\n0.804380 0.304380 0.595195 O\n0.195620 0.695620 0.595195 O\n","nsites":16,"nelements":3,"elements":["Li","Cl","O"],"chemical_system":"Cl-Li-O","density":2.211310670385411,"density_atomic":0.07160275793223492,"volume":223.45507997251238,"volume_molar":8.41048715707204,"formula_full":"Li4 Cl4 O8","formula_reduced":"LiClO2","formula_anonymous":"ABC2","energy_above_hull":1.194932766875,"spacegroup":138},{"id":"jvasp-118484","created_at":"2022-09-04T14:38:34.013896Z","updated_at":"2022-09-04T14:38:34.013919Z","structure_string":"Sc1 H1 O1\n1.0\n3.586269 -0.000000 0.000000\n-1.793134 3.105800 -0.000000\n0.000000 -0.000000 4.177577\nSc H O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 O\n","nsites":3,"nelements":3,"elements":["Sc","H","O"],"chemical_system":"H-O-Sc","density":2.211273640295178,"density_atomic":0.06447338073219804,"volume":46.53083126602354,"volume_molar":9.340507185460092,"formula_full":"Sc1 H1 O1","formula_reduced":"ScHO","formula_anonymous":"ABC","energy_above_hull":1.7882762499999998,"spacegroup":187},{"id":"jvasp-112142","created_at":"2022-09-04T14:38:45.128800Z","updated_at":"2022-09-04T14:38:45.128827Z","structure_string":"Mg2 H4 C6 O8\n1.0\n5.419847 0.101572 -0.654425\n-1.243746 5.714445 -0.407482\n0.214247 0.385645 6.039325\nMg H C O\n2 4 6 8\ndirect\n0.178553 0.736530 0.581053 Mg\n0.904583 0.033821 0.137040 Mg\n0.861401 0.470413 0.199702 H\n0.196235 0.270668 0.496822 H\n0.380218 0.026045 0.214171 H\n0.235553 0.285640 0.806769 H\n0.300592 0.349131 0.648789 C\n0.297059 0.175132 0.162100 C\n0.735730 0.937285 0.614277 C\n0.543275 0.404992 0.636056 C\n0.248657 0.645270 0.081194 C\n0.487769 0.346665 0.146890 C\n0.791077 0.981938 0.820524 O\n0.479375 0.578332 0.083006 O\n0.759492 0.463770 0.623048 O\n0.170288 0.730550 0.908288 O\n0.737234 0.323615 0.158840 O\n0.916521 0.932817 0.477748 O\n0.511488 0.894381 0.525363 O\n0.131596 0.626461 0.255323 O\n","nsites":20,"nelements":4,"elements":["Mg","H","C","O"],"chemical_system":"C-H-Mg-O","density":2.2112348769825054,"density_atomic":0.10539221653918632,"volume":189.7673344080748,"volume_molar":5.714027997277088,"formula_full":"Mg2 H4 C6 O8","formula_reduced":"MgH2C3O4","formula_anonymous":"AB2C3D4","energy_above_hull":3.741110305,"spacegroup":1},{"id":"jvasp-70771","created_at":"2022-09-04T14:36:19.725812Z","updated_at":"2022-09-04T14:36:19.725840Z","structure_string":"Na1 Sr1 Be2\n1.0\n3.616881 -3.617212 0.000000\n3.616881 3.617212 0.000000\n0.000000 0.000000 3.692168\nNa Sr Be\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n","nsites":4,"nelements":3,"elements":["Na","Sr","Be"],"chemical_system":"Be-Na-Sr","density":2.2109844562990877,"density_atomic":0.04140381492561958,"volume":96.60945512353999,"volume_molar":14.544893437521525,"formula_full":"Na1 Sr1 Be2","formula_reduced":"NaSrBe2","formula_anonymous":"ABC2","energy_above_hull":0.862515101875,"spacegroup":123},{"id":"jvasp-114670","created_at":"2022-09-04T14:38:42.560572Z","updated_at":"2022-09-04T14:38:42.560596Z","structure_string":"Mg1 H1 C2\n1.0\n2.990061 0.000000 0.000000\n0.000000 2.990061 -0.000000\n-0.000000 0.000000 4.144981\nMg H C\n1 1 2\ndirect\n0.500000 0.500000 0.407481 Mg\n0.000000 0.000000 -0.013023 H\n0.000000 0.000000 0.723709 C\n0.500000 0.500000 0.891834 C\n","nsites":4,"nelements":3,"elements":["Mg","H","C"],"chemical_system":"C-H-Mg","density":2.2106285725455113,"density_atomic":0.10793874154633491,"volume":37.058056659692646,"volume_molar":5.579220837418113,"formula_full":"Mg1 H1 C2","formula_reduced":"MgHC2","formula_anonymous":"ABC2","energy_above_hull":3.8159822625,"spacegroup":99}]}