{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3409","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3407","results":[{"id":"jvasp-115491","created_at":"2022-09-04T14:38:44.021644Z","updated_at":"2022-09-04T14:38:44.021666Z","structure_string":"Rb1 B1 O2\n1.0\n2.907934 0.000000 0.000000\n0.000000 2.907934 -0.000000\n0.000000 -0.000000 6.187468\nRb B O\n1 1 2\ndirect\n0.499999 0.499999 0.576330 Rb\n0.000000 0.000000 0.109918 B\n0.000000 0.000000 0.313838 O\n0.499999 0.499999 0.009905 O\n","nsites":4,"nelements":3,"elements":["Rb","B","O"],"chemical_system":"B-O-Rb","density":4.071157150363921,"density_atomic":0.07645007834273358,"volume":52.321725323388,"volume_molar":7.877219867587477,"formula_full":"Rb1 B1 O2","formula_reduced":"RbBO2","formula_anonymous":"ABC2","energy_above_hull":1.841692395833333,"spacegroup":99},{"id":"jvasp-48745","created_at":"2022-09-04T14:35:44.424548Z","updated_at":"2022-09-04T14:35:44.424561Z","structure_string":"Li2 V2 Cu2 O8\n1.0\n5.067757 -0.093366 0.000000\n1.910724 4.694679 0.000000\n0.000000 -0.000000 6.310575\nLi V Cu O\n2 2 2 8\ndirect\n0.332143 0.332143 0.750001 Li\n0.667857 0.667857 0.250000 Li\n0.350623 0.350623 0.250000 V\n0.649377 0.649376 0.750001 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.233983 0.233983 0.025103 O\n0.233983 0.233983 0.474898 O\n0.241305 0.722244 0.250000 O\n0.277755 0.758695 0.750001 O\n0.722245 0.241305 0.250000 O\n0.758695 0.277755 0.750001 O\n0.766017 0.766017 0.974898 O\n0.766017 0.766017 0.525103 O\n","nsites":14,"nelements":4,"elements":["Li","V","Cu","O"],"chemical_system":"Cu-Li-O-V","density":4.071130287786538,"density_atomic":0.09255354967653236,"volume":151.26378241492563,"volume_molar":6.50665563994782,"formula_full":"Li2 V2 Cu2 O8","formula_reduced":"LiVCuO4","formula_anonymous":"ABCD4","energy_above_hull":2.047641235714286,"spacegroup":63},{"id":"jvasp-118274","created_at":"2022-09-04T14:38:38.322132Z","updated_at":"2022-09-04T14:38:38.322158Z","structure_string":"Rb1 In1 F1\n1.0\n5.415891 -0.000000 -0.000000\n-2.707945 4.690299 0.000000\n-0.000000 0.000000 3.521322\nRb In F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.333332 0.666666 0.000000 In\n0.000000 0.000000 0.000000 F\n","nsites":3,"nelements":3,"elements":["Rb","In","F"],"chemical_system":"F-In-Rb","density":4.070804632577993,"density_atomic":0.033538610836400556,"volume":89.44914309760264,"volume_molar":17.955844353171518,"formula_full":"Rb1 In1 F1","formula_reduced":"RbInF","formula_anonymous":"ABC","energy_above_hull":0.1416966666666667,"spacegroup":187},{"id":"jvasp-114103","created_at":"2022-09-04T14:38:47.265880Z","updated_at":"2022-09-04T14:38:47.265897Z","structure_string":"Mg1 Ag1 O1\n1.0\n3.073819 0.000000 -0.000000\n-0.000000 3.073819 0.000000\n-0.000000 -0.000000 6.397131\nMg Ag O\n1 1 1\ndirect\n0.000000 0.000000 -0.013217 Mg\n0.000000 0.000000 0.388097 Ag\n0.000000 0.000000 0.706493 O\n","nsites":3,"nelements":3,"elements":["Mg","Ag","O"],"chemical_system":"Ag-Mg-O","density":4.070756952377266,"density_atomic":0.049634017440679835,"volume":60.44241741232118,"volume_molar":12.133091517722434,"formula_full":"Mg1 Ag1 O1","formula_reduced":"MgAgO","formula_anonymous":"ABC","energy_above_hull":0.3371066033333334,"spacegroup":99},{"id":"jvasp-115536","created_at":"2022-09-04T14:38:46.118151Z","updated_at":"2022-09-04T14:38:46.118180Z","structure_string":"Ba1 Ge1 Br1\n1.0\n3.701068 0.000000 0.000000\n-0.000000 3.701068 0.000000\n-0.000000 0.000000 8.632374\nBa Ge Br\n1 1 1\ndirect\n0.000000 0.000000 0.353335 Ba\n0.000000 0.000000 -0.003846 Ge\n0.000000 0.000000 0.712614 Br\n","nsites":3,"nelements":3,"elements":["Ba","Ge","Br"],"chemical_system":"Ba-Br-Ge","density":4.070703674587881,"density_atomic":0.02537095866342865,"volume":118.24543328448975,"volume_molar":23.736354782212878,"formula_full":"Ba1 Ge1 Br1","formula_reduced":"BaGeBr","formula_anonymous":"ABC","energy_above_hull":0.2058053199999999,"spacegroup":99},{"id":"jvasp-59872","created_at":"2022-09-04T14:38:35.571837Z","updated_at":"2022-09-04T14:38:35.571847Z","structure_string":"Al2 Co4 S8\n1.0\n6.025012 -0.000000 -3.163208\n-1.660725 5.791612 -3.163208\n-0.278387 -0.369433 6.789323\nAl Co S\n2 4 8\ndirect\n0.375001 0.625001 0.749999 Al\n0.624999 0.375000 0.250000 Al\n0.000000 0.500001 0.000001 Co\n0.000001 0.000000 0.500000 Co\n0.500001 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.762776 0.788316 0.525553 S\n0.762763 0.237225 0.974448 S\n0.211684 0.237225 0.974447 S\n0.237224 0.211684 0.474447 S\n0.237223 0.762763 0.474446 S\n0.237237 0.762776 0.025553 S\n0.762776 0.237236 0.525552 S\n0.788316 0.762776 0.025552 S\n","nsites":14,"nelements":3,"elements":["Al","Co","S"],"chemical_system":"Al-Co-S","density":4.070449049065594,"density_atomic":0.06282853846391989,"volume":222.828675348539,"volume_molar":9.5850403450946,"formula_full":"Al2 Co4 S8","formula_reduced":"Al(CoS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.484926371428571,"spacegroup":227},{"id":"jvasp-28410","created_at":"2022-09-04T14:36:17.494593Z","updated_at":"2022-09-04T14:36:17.494618Z","structure_string":"W1 Se2\n1.0\n3.324606 0.000000 0.000030\n-1.662304 2.879193 -0.000036\n0.000143 -0.000117 14.566104\nW Se\n1 2\ndirect\n0.333334 0.666666 0.214846 W\n0.666662 0.333341 0.330294 Se\n0.666673 0.333324 0.099400 Se\n","nsites":3,"nelements":2,"elements":["W","Se"],"chemical_system":"Se-W","density":4.070201968636412,"density_atomic":0.021516265085347763,"volume":139.4294032026475,"volume_molar":27.988783072304606,"formula_full":"W1 Se2","formula_reduced":"WSe2","formula_anonymous":"AB2","energy_above_hull":3.062705577777778,"spacegroup":187},{"id":"jvasp-100691","created_at":"2022-09-04T14:36:53.148586Z","updated_at":"2022-09-04T14:36:53.148596Z","structure_string":"Rb2 In1 Au1 Cl6\n1.0\n6.387567 -0.000000 3.687863\n2.129189 6.022256 3.687863\n-0.000000 -0.000000 7.375727\nRb In Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 Au\n0.754508 0.245493 0.245492 Cl\n0.245493 0.245493 0.754508 Cl\n0.245493 0.754508 0.754507 Cl\n0.245493 0.754508 0.245492 Cl\n0.754508 0.245493 0.754507 Cl\n0.754508 0.754508 0.245491 Cl\n","nsites":10,"nelements":4,"elements":["Rb","In","Au","Cl"],"chemical_system":"Au-Cl-In-Rb","density":4.070128356454295,"density_atomic":0.03524524102200329,"volume":283.72624814104944,"volume_molar":17.086394036120883,"formula_full":"Rb2 In1 Au1 Cl6","formula_reduced":"Rb2InAuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-114056","created_at":"2022-09-04T14:38:48.086392Z","updated_at":"2022-09-04T14:38:48.086426Z","structure_string":"Ba1 Y1 I1\n1.0\n3.796637 0.000000 0.000000\n0.000000 3.796637 -0.000000\n-0.000000 0.000000 9.995216\nBa Y I\n1 1 1\ndirect\n0.000000 0.000000 0.388697 Ba\n0.000000 0.000000 0.009838 Y\n0.000000 0.000000 0.720894 I\n","nsites":3,"nelements":3,"elements":["Ba","Y","I"],"chemical_system":"Ba-I-Y","density":4.0700746876252705,"density_atomic":0.020822406434751275,"volume":144.07556635688326,"volume_molar":28.92144468926238,"formula_full":"Ba1 Y1 I1","formula_reduced":"BaYI","formula_anonymous":"ABC","energy_above_hull":0.7014237120000002,"spacegroup":99},{"id":"jvasp-115556","created_at":"2022-09-04T14:38:42.462119Z","updated_at":"2022-09-04T14:38:42.462135Z","structure_string":"Ba1 Te1 Cl1\n1.0\n0.000000 3.942556 3.942556\n3.942556 0.000000 3.942556\n3.942556 3.942556 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n","nsites":3,"nelements":3,"elements":["Ba","Te","Cl"],"chemical_system":"Ba-Cl-Te","density":4.069644771710152,"density_atomic":0.02447696950553236,"volume":122.56419240633244,"volume_molar":24.603293960221905,"formula_full":"Ba1 Te1 Cl1","formula_reduced":"BaTeCl","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-92724","created_at":"2022-09-04T14:36:33.022424Z","updated_at":"2022-09-04T14:36:33.022450Z","structure_string":"Sr1 Al2 Ge2\n1.0\n-2.128511 -3.686718 -0.000015\n-2.128526 3.686726 -0.000007\n-0.000039 -0.000016 -7.458010\nSr Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333350 0.666680 0.625910 Al\n0.666651 0.333320 0.374091 Al\n0.333321 0.666655 0.270479 Ge\n0.666680 0.333346 0.729522 Ge\n","nsites":5,"nelements":3,"elements":["Sr","Al","Ge"],"chemical_system":"Al-Ge-Sr","density":4.069611703125221,"density_atomic":0.042716850775023296,"volume":117.0498271591575,"volume_molar":14.097810701722349,"formula_full":"Sr1 Al2 Ge2","formula_reduced":"Sr(AlGe)2","formula_anonymous":"AB2C2","energy_above_hull":0.8424047619999999,"spacegroup":164},{"id":"jvasp-29808","created_at":"2022-09-04T14:37:32.319526Z","updated_at":"2022-09-04T14:37:32.319544Z","structure_string":"Mn1 H2 O2\n1.0\n2.993012 -0.133559 -0.070526\n-1.591811 2.773065 -0.001559\n-0.080288 -0.037791 4.490585\nMn H O\n1 2 2\ndirect\n0.012513 0.924770 0.977926 Mn\n0.649510 0.243544 0.533534 H\n0.375461 0.606023 0.422308 H\n0.685141 0.260856 0.751820 O\n0.339899 0.588694 0.204018 O\n","nsites":5,"nelements":3,"elements":["Mn","H","O"],"chemical_system":"H-Mn-O","density":4.0695582652644955,"density_atomic":0.13775549154291486,"volume":36.29619366892792,"volume_molar":4.371615746530095,"formula_full":"Mn1 H2 O2","formula_reduced":"Mn(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.849408848275861,"spacegroup":12}]}