{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3580","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3578","results":[{"id":"jvasp-118376","created_at":"2022-09-04T14:38:50.940497Z","updated_at":"2022-09-04T14:38:50.940513Z","structure_string":"Ca1 Al2 Sb2\n1.0\n2.164747 1.249817 8.859333\n-2.164747 1.249817 8.859333\n0.000000 -2.499635 8.859333\nCa Al Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.451957 0.451957 0.451953 Al\n0.548046 0.548046 0.548041 Al\n0.256981 0.256981 0.256979 Sb\n0.743022 0.743022 0.743016 Sb\n","nsites":5,"nelements":3,"elements":["Ca","Al","Sb"],"chemical_system":"Al-Ca-Sb","density":3.8975841026789357,"density_atomic":0.03476674546288922,"volume":143.8155896800035,"volume_molar":17.321554490707694,"formula_full":"Ca1 Al2 Sb2","formula_reduced":"Ca(AlSb)2","formula_anonymous":"AB2C2","energy_above_hull":1.2080116440000002,"spacegroup":166},{"id":"jvasp-117462","created_at":"2022-09-04T14:38:51.164104Z","updated_at":"2022-09-04T14:38:51.164125Z","structure_string":"Ba1 B2 P2\n1.0\n-1.979975 1.979975 5.292578\n1.979975 -1.979975 5.292578\n1.979975 1.979975 -5.292578\nBa B P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.680220 0.680220 0.000000 P\n0.319780 0.319780 0.000000 P\n","nsites":5,"nelements":3,"elements":["Ba","B","P"],"chemical_system":"B-Ba-P","density":4.419684898605862,"density_atomic":0.06024532233800278,"volume":82.99399531714344,"volume_molar":9.996030440692374,"formula_full":"Ba1 B2 P2","formula_reduced":"Ba(BP)2","formula_anonymous":"AB2C2","energy_above_hull":3.110562427333334,"spacegroup":139},{"id":"jvasp-122046","created_at":"2022-09-04T14:38:52.232976Z","updated_at":"2022-09-04T14:38:52.233004Z","structure_string":"Ho8 Sn4 Au8\n1.0\n7.890231 0.000000 0.000000\n0.000000 7.890231 0.000000\n-0.000000 -0.000000 7.453818\nHo Sn Au\n8 4 8\ndirect\n0.839950 0.160050 0.500000 Ho\n0.160050 0.839950 0.500000 Ho\n0.339950 0.339950 -0.000000 Ho\n0.660050 0.660050 -0.000000 Ho\n0.679131 0.679131 0.500000 Ho\n0.320869 0.320869 0.500000 Ho\n0.179131 0.820869 -0.000000 Ho\n0.820869 0.179131 -0.000000 Ho\n-0.000000 0.500000 0.250000 Sn\n0.500000 -0.000000 0.750000 Sn\n-0.000000 0.500000 0.750000 Sn\n0.500000 -0.000000 0.250000 Sn\n0.628249 0.371751 0.269641 Au\n0.371751 0.628249 0.269641 Au\n0.128249 0.128249 0.769642 Au\n0.871751 0.871751 0.769642 Au\n0.371751 0.628249 0.730359 Au\n0.628249 0.371751 0.730359 Au\n0.871751 0.871751 0.230359 Au\n0.128249 0.128249 0.230359 Au\n","nsites":20,"nelements":3,"elements":["Ho","Sn","Au"],"chemical_system":"Au-Ho-Sn","density":12.059317381693187,"density_atomic":0.043099454663316626,"volume":464.0429944238404,"volume_molar":13.972661155561314,"formula_full":"Ho8 Sn4 Au8","formula_reduced":"Ho2SnAu2","formula_anonymous":"AB2C2","energy_above_hull":0.6871395946666666,"spacegroup":136},{"id":"jvasp-120397","created_at":"2022-09-04T14:38:53.280885Z","updated_at":"2022-09-04T14:38:53.280910Z","structure_string":"Li2 Au1 O2\n1.0\n-1.629349 1.832553 4.733277\n1.629349 -1.832553 4.733277\n1.629349 1.832553 -4.733277\nLi Au O\n2 1 2\ndirect\n0.206138 0.706138 0.499999 Li\n0.793861 0.293862 0.500000 Li\n0.500000 0.000000 0.500000 Au\n0.653052 0.653052 0.000000 O\n0.346948 0.346948 0.000000 O\n","nsites":5,"nelements":3,"elements":["Li","Au","O"],"chemical_system":"Au-Li-O","density":7.13329074300968,"density_atomic":0.08844584384040524,"volume":56.531768853064186,"volume_molar":6.8088453888987255,"formula_full":"Li2 Au1 O2","formula_reduced":"Li2AuO2","formula_anonymous":"AB2C2","energy_above_hull":1.1601129139999995,"spacegroup":71},{"id":"jvasp-107260","created_at":"2022-09-04T14:38:49.160129Z","updated_at":"2022-09-04T14:38:49.160156Z","structure_string":"Sr1 In2 Cu2\n1.0\n4.140643 -0.048812 -4.984379\n-0.577429 4.100473 -4.984379\n0.042928 0.048812 6.479746\nSr In Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 In\n0.250000 0.749999 0.499999 In\n0.392133 0.392133 -0.000001 Cu\n0.607866 0.607867 -0.000001 Cu\n","nsites":5,"nelements":3,"elements":["Sr","In","Cu"],"chemical_system":"Cu-In-Sr","density":6.595662830206572,"density_atomic":0.04469470998263787,"volume":111.87006251841218,"volume_molar":13.473945266317566,"formula_full":"Sr1 In2 Cu2","formula_reduced":"Sr(InCu)2","formula_anonymous":"AB2C2","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-118833","created_at":"2022-09-04T14:38:52.896497Z","updated_at":"2022-09-04T14:38:52.896517Z","structure_string":"Ca1 As2 H2\n1.0\n4.977825 0.000000 0.000000\n-2.488913 4.310923 -0.000000\n-0.000000 -0.000000 3.888198\nCa As H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666667 0.551582 As\n0.666667 0.333333 0.448419 As\n0.333334 0.666667 0.149383 H\n0.666667 0.333333 0.850618 H\n","nsites":5,"nelements":3,"elements":["Ca","As","H"],"chemical_system":"As-Ca-H","density":3.8198799841359685,"density_atomic":0.059925510377471125,"volume":83.43691974427873,"volume_molar":10.049377505617395,"formula_full":"Ca1 As2 H2","formula_reduced":"Ca(AsH)2","formula_anonymous":"AB2C2","energy_above_hull":1.970766784,"spacegroup":164},{"id":"jvasp-113679","created_at":"2022-09-04T14:38:50.868214Z","updated_at":"2022-09-04T14:38:50.868241Z","structure_string":"Rb2 Al1 O2\n1.0\n-2.049188 2.049188 6.912616\n2.049188 -2.049188 6.912616\n2.049188 2.049188 -6.912616\nRb Al O\n2 1 2\ndirect\n0.333529 0.333529 0.000000 Rb\n0.666471 0.666471 0.000000 Rb\n0.000000 0.000000 0.000000 Al\n0.877001 0.877001 0.000000 O\n0.123000 0.123000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Rb","Al","O"],"chemical_system":"Al-O-Rb","density":3.2881539670936477,"density_atomic":0.043062969356995696,"volume":116.10903926641873,"volume_molar":13.984499559414816,"formula_full":"Rb2 Al1 O2","formula_reduced":"Rb2AlO2","formula_anonymous":"AB2C2","energy_above_hull":0.6471119599999996,"spacegroup":139},{"id":"jvasp-118854","created_at":"2022-09-04T14:38:50.361636Z","updated_at":"2022-09-04T14:38:50.361668Z","structure_string":"Mg2 Cu1 As2\n1.0\n3.556973 -2.556205 0.490116\n3.556973 2.556205 0.490116\n-1.470745 0.000000 5.392116\nMg Cu As\n2 1 2\ndirect\n0.335334 0.335334 0.746183 Mg\n0.664667 0.664667 0.253819 Mg\n0.000000 0.000000 0.000000 Cu\n0.291066 0.291066 0.250317 As\n0.708935 0.708935 0.749685 As\n","nsites":5,"nelements":3,"elements":["Mg","Cu","As"],"chemical_system":"As-Cu-Mg","density":4.276225140106089,"density_atomic":0.049145244955078,"volume":101.73924261788359,"volume_molar":12.253760797213717,"formula_full":"Mg2 Cu1 As2","formula_reduced":"Mg2CuAs2","formula_anonymous":"AB2C2","energy_above_hull":0.4712444099999997,"spacegroup":12},{"id":"jvasp-120987","created_at":"2022-09-04T14:38:51.475978Z","updated_at":"2022-09-04T14:38:51.476007Z","structure_string":"Ca1 Al2 As2\n1.0\n4.508961 -0.000000 0.000000\n-2.254481 3.904875 -0.000000\n-0.000000 -0.000000 6.387992\nCa Al As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666668 0.342881 Al\n0.666668 0.333334 0.657119 Al\n0.666668 0.333334 0.262371 As\n0.333335 0.666668 0.737629 As\n","nsites":5,"nelements":3,"elements":["Ca","Al","As"],"chemical_system":"Al-As-Ca","density":3.6006832784206764,"density_atomic":0.04445514444651754,"volume":112.47292213874883,"volume_molar":13.546555376161313,"formula_full":"Ca1 Al2 As2","formula_reduced":"Ca(AlAs)2","formula_anonymous":"AB2C2","energy_above_hull":1.502485904,"spacegroup":164},{"id":"jvasp-119430","created_at":"2022-09-04T14:38:51.411208Z","updated_at":"2022-09-04T14:38:51.411227Z","structure_string":"Ta8 B8 Os4\n1.0\n5.911618 0.000000 0.000000\n0.000000 5.911618 0.000000\n-0.000000 -0.000000 6.910702\nTa B Os\n8 8 4\ndirect\n0.664237 0.813357 0.500000 Ta\n0.335764 0.186644 0.500000 Ta\n0.835764 0.313356 -0.000000 Ta\n0.164237 0.686644 -0.000000 Ta\n0.813357 0.335764 0.500000 Ta\n0.186644 0.664237 0.500000 Ta\n0.313356 0.164237 -0.000000 Ta\n0.686644 0.835764 -0.000000 Ta\n0.613420 0.113420 0.750000 B\n0.386580 0.886580 0.750000 B\n0.113420 0.386580 0.250000 B\n0.886580 0.613420 0.250000 B\n0.613420 0.113420 0.250000 B\n0.113420 0.386580 0.750000 B\n0.386580 0.886580 0.250000 B\n0.886580 0.613420 0.750000 B\n0.500000 0.500000 0.778223 Os\n0.500000 0.500000 0.221776 Os\n0.000000 0.000000 0.721776 Os\n0.000000 0.000000 0.278223 Os\n","nsites":20,"nelements":3,"elements":["Ta","B","Os"],"chemical_system":"B-Os-Ta","density":15.779571303513457,"density_atomic":0.08281234906699589,"volume":241.50987413507414,"volume_molar":7.272032284856499,"formula_full":"Ta8 B8 Os4","formula_reduced":"Ta2B2Os","formula_anonymous":"AB2C2","energy_above_hull":5.915251713333332,"spacegroup":128},{"id":"jvasp-119913","created_at":"2022-09-04T14:38:48.863245Z","updated_at":"2022-09-04T14:38:48.863262Z","structure_string":"B1 H2 O2\n1.0\n2.600991 -1.687260 0.148555\n2.600991 1.687260 0.148555\n-0.270549 0.000000 5.296617\nB H O\n1 2 2\ndirect\n0.499999 0.499999 -0.000001 B\n0.544475 0.544475 0.588394 H\n0.455522 0.455522 0.411605 H\n0.649089 0.649089 0.807820 O\n0.350908 0.350908 0.192179 O\n","nsites":5,"nelements":3,"elements":["B","H","O"],"chemical_system":"B-H-O","density":1.5964723175711244,"density_atomic":0.10723965614329987,"volume":46.624543380843264,"volume_molar":5.615591262203289,"formula_full":"B1 H2 O2","formula_reduced":"B(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.930859916666667,"spacegroup":12},{"id":"jvasp-118740","created_at":"2022-09-04T14:38:50.121155Z","updated_at":"2022-09-04T14:38:50.121171Z","structure_string":"Mn2 S1 O2\n1.0\n3.370770 0.000000 0.000000\n-1.685385 2.919173 0.000000\n-0.000000 0.000000 6.101749\nMn S O\n2 1 2\ndirect\n0.666666 0.333333 0.776874 Mn\n0.333332 0.666665 0.223127 Mn\n0.000000 0.000000 0.500000 S\n0.666666 0.333333 0.137553 O\n0.333332 0.666665 0.862448 O\n","nsites":5,"nelements":3,"elements":["Mn","S","O"],"chemical_system":"Mn-O-S","density":4.810663685887355,"density_atomic":0.0832773145810477,"volume":60.040360633073334,"volume_molar":7.231430060270608,"formula_full":"Mn2 S1 O2","formula_reduced":"Mn2SO2","formula_anonymous":"AB2C2","energy_above_hull":2.993424296551724,"spacegroup":164}]}