{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4333","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4331","results":[{"id":"jvasp-69329","created_at":"2022-09-04T14:36:00.933402Z","updated_at":"2022-09-04T14:36:00.933431Z","structure_string":"Ba2 Bi1 Br1\n1.0\n0.000000 4.226562 4.226562\n4.226562 0.000000 4.226562\n4.226562 4.226562 -0.000000\nBa Bi Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Bi","Br"],"chemical_system":"Ba-Bi-Br","density":6.1969912673350525,"density_atomic":0.02648916468746703,"volume":151.00513916516752,"volume_molar":22.73435508840069,"formula_full":"Ba2 Bi1 Br1","formula_reduced":"Ba2BiBr","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-40858","created_at":"2022-09-04T14:37:35.922909Z","updated_at":"2022-09-04T14:37:35.922946Z","structure_string":"Ba2 Bi1 Au1\n1.0\n0.000000 4.174689 4.174689\n4.174689 -0.000000 4.174689\n4.174689 4.174689 -0.000000\nBa Bi Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.750001 0.750001 0.750001 Bi\n0.250001 0.250001 0.250001 Au\n","nsites":4,"nelements":3,"elements":["Ba","Bi","Au"],"chemical_system":"Au-Ba-Bi","density":7.76674921421423,"density_atomic":0.02748891592117674,"volume":145.51319562655087,"volume_molar":21.907523662512645,"formula_full":"Ba2 Bi1 Au1","formula_reduced":"Ba2BiAu","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-21825","created_at":"2022-09-04T14:37:30.082609Z","updated_at":"2022-09-04T14:37:30.082636Z","structure_string":"Ba2 Be4 Si4 O14\n1.0\n4.704848 0.000000 0.000000\n0.000000 4.954302 0.000000\n0.000000 0.000000 11.728969\nBa Be Si O\n2 4 4 14\ndirect\n0.007442 0.202058 0.000000 Ba\n0.507442 0.797942 0.500000 Ba\n0.518036 0.168594 0.250752 Be\n0.018036 0.831406 0.249248 Be\n0.518036 0.168594 0.749248 Be\n0.018036 0.831406 0.750752 Be\n0.031011 0.325808 0.371405 Si\n0.531011 0.674192 0.128595 Si\n0.531011 0.674192 0.871405 Si\n0.031011 0.325808 0.628595 Si\n0.868898 0.134326 0.724074 O\n0.368898 0.865674 0.775927 O\n0.961683 0.646575 0.361330 O\n0.461683 0.353424 0.138670 O\n0.461683 0.353424 0.861330 O\n0.961683 0.646575 0.638670 O\n0.919563 0.222694 0.500000 O\n0.372073 0.271664 0.366912 O\n0.872073 0.728336 0.866912 O\n0.372073 0.271664 0.633088 O\n0.868898 0.134326 0.275927 O\n0.419562 0.777306 0.000000 O\n0.872073 0.728336 0.133088 O\n0.368898 0.865674 0.224074 O\n","nsites":24,"nelements":4,"elements":["Ba","Be","Si","O"],"chemical_system":"Ba-Be-O-Si","density":3.9299755671369394,"density_atomic":0.08778560967663594,"volume":273.39332822777646,"volume_molar":6.860054605968964,"formula_full":"Ba2 Be4 Si4 O14","formula_reduced":"BaBe2Si2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.441699989166666,"spacegroup":31},{"id":"jvasp-11068","created_at":"2022-09-04T14:37:14.109524Z","updated_at":"2022-09-04T14:37:14.109549Z","structure_string":"Ba2 Be4 N4\n1.0\n4.959632 0.000000 -2.774280\n-1.551855 4.710595 -2.774280\n0.009551 0.013203 5.837429\nBa Be N\n2 4 4\ndirect\n0.750000 0.749999 0.499999 Ba\n0.250000 0.249999 0.500000 Ba\n0.628507 0.128507 -0.000000 Be\n0.871493 0.628507 -0.000000 Be\n0.128508 0.371492 -0.000000 Be\n0.371493 0.871492 -0.000000 Be\n0.333875 0.166125 -0.000000 N\n0.166125 0.666124 -0.000000 N\n0.666125 0.833874 -0.000000 N\n0.833875 0.333875 -0.000000 N\n","nsites":10,"nelements":3,"elements":["Ba","Be","N"],"chemical_system":"Ba-Be-N","density":4.453410042702771,"density_atomic":0.07313035929962475,"volume":136.74211498166827,"volume_molar":8.23480264239711,"formula_full":"Ba2 Be4 N4","formula_reduced":"Ba(BeN)2","formula_anonymous":"AB2C2","energy_above_hull":2.691076934,"spacegroup":140},{"id":"jvasp-89349","created_at":"2022-09-04T14:35:41.903085Z","updated_at":"2022-09-04T14:35:41.903117Z","structure_string":"Ba2 Be4 B4 O12\n1.0\n5.686771 0.000000 2.748927\n2.843385 5.895914 1.374463\n-0.007822 0.000000 7.272826\nBa Be B O\n2 4 4 12\ndirect\n0.375000 0.250000 0.250000 Ba\n0.625001 0.749999 0.750000 Ba\n0.217195 0.749999 0.565611 Be\n0.782805 0.250000 0.434389 Be\n0.967195 0.250000 0.065611 Be\n0.032806 0.749999 0.934389 Be\n0.340172 0.319656 0.750000 B\n0.090173 0.819656 0.250000 B\n0.909829 0.180343 0.750001 B\n0.659829 0.680343 0.250000 B\n0.266488 0.203550 0.927429 O\n0.806084 0.296449 0.927430 O\n0.777100 0.445802 0.250000 O\n0.222901 0.554197 0.750000 O\n0.733514 0.796449 0.072571 O\n0.027101 0.945802 0.750000 O\n0.193917 0.703550 0.072571 O\n0.897467 0.296449 0.572572 O\n0.470039 0.796449 0.427429 O\n0.972901 0.054198 0.250000 O\n0.529963 0.203550 0.572571 O\n0.102534 0.703550 0.427429 O\n","nsites":22,"nelements":4,"elements":["Ba","Be","B","O"],"chemical_system":"B-Ba-Be-O","density":3.715761519843351,"density_atomic":0.09017307426731434,"volume":243.97526843525276,"volume_molar":6.67842458398126,"formula_full":"Ba2 Be4 B4 O12","formula_reduced":"BaBe2(BO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.684480394242424,"spacegroup":70},{"id":"jvasp-49860","created_at":"2022-09-04T14:37:08.565879Z","updated_at":"2022-09-04T14:37:08.565891Z","structure_string":"Ba2 Be2 P2 O8 F2\n1.0\n4.896151 0.006448 -0.000967\n-0.003463 4.896649 -0.002405\n-2.410667 -2.412979 8.452581\nBa Be P O F\n2 2 2 8 2\ndirect\n0.003538 0.003057 0.000425 Ba\n0.752651 0.254037 0.500477 Ba\n0.167089 0.652714 0.336086 Be\n0.402346 0.417696 0.836080 Be\n0.582915 0.561341 0.165385 P\n0.310993 0.833538 0.665389 P\n0.838290 0.736319 0.298695 O\n0.604740 0.604636 0.005540 O\n0.996339 0.834312 0.659305 O\n0.303784 0.684219 0.196837 O\n0.354126 0.855218 0.505487 O\n0.583725 0.246680 0.159228 O\n0.434017 0.554537 0.696918 O\n0.486031 0.088976 0.798606 O\n0.175502 0.334650 0.347444 F\n0.084207 0.425989 0.847351 F\n","nsites":16,"nelements":5,"elements":["Ba","Be","P","O","F"],"chemical_system":"Ba-Be-F-O-P","density":4.266875454687847,"density_atomic":0.07896993131828582,"volume":202.60876175151404,"volume_molar":7.62586551548076,"formula_full":"Ba2 Be2 P2 O8 F2","formula_reduced":"BaBePO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.6583102315624998,"spacegroup":9},{"id":"jvasp-51315","created_at":"2022-09-04T14:36:57.033506Z","updated_at":"2022-09-04T14:36:57.033523Z","structure_string":"Ba2 Be1 Ga1\n1.0\n0.000000 3.886404 3.886404\n3.886404 -0.000000 3.886404\n3.886404 3.886404 -0.000000\nBa Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Be\n0.250000 0.250000 0.250000 Ga\n","nsites":4,"nelements":3,"elements":["Ba","Be","Ga"],"chemical_system":"Ba-Be-Ga","density":4.998371356801971,"density_atomic":0.034071100559966636,"volume":117.40154953198015,"volume_molar":17.675216418092415,"formula_full":"Ba2 Be1 Ga1","formula_reduced":"Ba2BeGa","formula_anonymous":"ABC2","energy_above_hull":0.30456759125,"spacegroup":216},{"id":"jvasp-64050","created_at":"2022-09-04T14:38:11.095969Z","updated_at":"2022-09-04T14:38:11.095995Z","structure_string":"Ba2 Be1 Bi1\n1.0\n0.000000 4.179324 4.179324\n4.179324 -0.000000 4.179324\n4.179324 4.179324 0.000000\nBa Be Bi\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Be","Bi"],"chemical_system":"Ba-Be-Bi","density":5.603204240190059,"density_atomic":0.027397559131437835,"volume":145.99840740594027,"volume_molar":21.98057400335997,"formula_full":"Ba2 Be1 Bi1","formula_reduced":"Ba2BeBi","formula_anonymous":"ABC2","energy_above_hull":0.5126205850000001,"spacegroup":225},{"id":"jvasp-12141","created_at":"2022-09-04T14:37:08.816400Z","updated_at":"2022-09-04T14:37:08.816410Z","structure_string":"Ba2 B4 Se12\n1.0\n6.881898 0.020106 -0.000000\n-2.544468 6.394264 -0.000000\n0.000000 0.000000 10.297987\nBa B Se\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.613824 0.386176 0.000000 B\n0.386176 0.613824 0.000000 B\n0.886176 0.113825 0.500000 B\n0.113824 0.886175 0.500000 B\n0.600905 0.600905 0.859808 Se\n0.100905 0.100905 0.640193 Se\n0.107375 0.524109 0.904255 Se\n0.607375 0.024109 0.595746 Se\n0.475891 0.892625 0.095745 Se\n0.524109 0.107375 0.904255 Se\n0.975891 0.392625 0.404255 Se\n0.899095 0.899095 0.359807 Se\n0.399095 0.399095 0.140193 Se\n0.892625 0.475891 0.095745 Se\n0.024109 0.607375 0.595746 Se\n0.392625 0.975891 0.404255 Se\n","nsites":18,"nelements":3,"elements":["Ba","B","Se"],"chemical_system":"B-Ba-Se","density":4.631560714777627,"density_atomic":0.03967498410053331,"volume":453.68638218957835,"volume_molar":15.178684746893321,"formula_full":"Ba2 B4 Se12","formula_reduced":"Ba(BSe3)2","formula_anonymous":"AB2C6","energy_above_hull":2.176869037407408,"spacegroup":64},{"id":"jvasp-13081","created_at":"2022-09-04T14:36:57.497591Z","updated_at":"2022-09-04T14:36:57.497608Z","structure_string":"Ba2 B4 S8\n1.0\n5.996967 0.030272 0.856709\n2.078413 5.784642 2.602206\n0.014889 -0.011308 8.573934\nBa B S\n2 4 8\ndirect\n0.966211 0.105403 0.692738 Ba\n0.466210 0.798140 0.307263 Ba\n0.556333 0.547651 0.960386 B\n0.056333 0.508037 0.039614 B\n0.872397 0.131537 0.266947 B\n0.372397 0.398484 0.733053 B\n0.740632 0.722365 0.969740 S\n0.046671 0.301709 0.273511 S\n0.425751 0.285660 0.567977 S\n0.925751 0.853636 0.432023 S\n0.674087 0.217325 0.094596 S\n0.174087 0.311921 0.905405 S\n0.546672 0.575219 0.726490 S\n0.240631 0.692105 0.030261 S\n","nsites":14,"nelements":3,"elements":["Ba","B","S"],"chemical_system":"B-Ba-S","density":3.2118466869380473,"density_atomic":0.04714175042730337,"volume":296.97666872996587,"volume_molar":12.774537868055319,"formula_full":"Ba2 B4 S8","formula_reduced":"Ba(BS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.498488733809524,"spacegroup":9},{"id":"jvasp-117459","created_at":"2022-09-04T14:38:45.216270Z","updated_at":"2022-09-04T14:38:45.216288Z","structure_string":"Ba2 B1 O3\n1.0\n-1.909948 2.333579 5.958813\n1.909948 -2.333579 5.958813\n1.909948 2.333579 -5.958813\nBa B O\n2 1 3\ndirect\n0.642222 0.642222 0.000000 Ba\n0.357777 0.357777 0.000000 Ba\n0.000000 0.000000 0.000000 B\n0.888422 0.888422 0.000000 O\n0.111577 0.111577 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":6,"nelements":3,"elements":["Ba","B","O"],"chemical_system":"B-Ba-O","density":5.2123456991383526,"density_atomic":0.05647905886017883,"volume":106.23406482133088,"volume_molar":10.662608197683646,"formula_full":"Ba2 B1 O3","formula_reduced":"Ba2BO3","formula_anonymous":"AB2C3","energy_above_hull":1.707895837222222,"spacegroup":71},{"id":"jvasp-117454","created_at":"2022-09-04T14:38:51.778733Z","updated_at":"2022-09-04T14:38:51.778745Z","structure_string":"Ba2 B1 N2\n1.0\n-2.066487 2.066487 5.764086\n2.066487 -2.066487 5.764086\n2.066487 2.066487 -5.764086\nBa B N\n2 1 2\ndirect\n0.645935 0.645935 0.000000 Ba\n0.354066 0.354066 0.000000 Ba\n0.000000 0.000000 0.000000 B\n0.881318 0.881318 0.000000 N\n0.118683 0.118683 0.000000 N\n","nsites":5,"nelements":3,"elements":["Ba","B","N"],"chemical_system":"B-Ba-N","density":5.286897866256372,"density_atomic":0.05078251507175969,"volume":98.45908563084375,"volume_molar":11.85868945539669,"formula_full":"Ba2 B1 N2","formula_reduced":"Ba2BN2","formula_anonymous":"AB2C2","energy_above_hull":2.8425242046666668,"spacegroup":139}]}