{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=122","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=120","results":[{"id":"jvasp-18790","created_at":"2022-09-04T14:36:10.311471Z","updated_at":"2022-09-04T14:36:10.311502Z","structure_string":"Ta6 Sn2\n1.0\n5.314984 -0.000000 -0.000000\n0.000000 5.314984 -0.000000\n0.000000 0.000000 5.314984\nTa Sn\n6 2\ndirect\n0.250000 0.000000 0.500000 Ta\n0.749999 0.000000 0.500000 Ta\n0.000000 0.500000 0.250000 Ta\n0.000000 0.500000 0.749999 Ta\n0.500000 0.749999 0.000000 Ta\n0.500000 0.250000 0.000000 Ta\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n","nsites":8,"nelements":2,"elements":["Ta","Sn"],"chemical_system":"Sn-Ta","density":14.633165081605721,"density_atomic":0.0532824397527009,"volume":150.1432749162819,"volume_molar":11.302299196415335,"formula_full":"Ta6 Sn2","formula_reduced":"Ta3Sn","formula_anonymous":"AB3","energy_above_hull":5.133079824999999,"spacegroup":223},{"id":"jvasp-35053","created_at":"2022-09-04T14:37:34.511600Z","updated_at":"2022-09-04T14:37:34.511614Z","structure_string":"Re2 N4\n1.0\n0.000000 2.923803 0.018250\n4.809242 0.000000 0.000000\n0.000000 -2.842355 -4.848076\nRe N\n2 4\ndirect\n0.120834 0.750549 0.990415 Re\n0.120834 0.249450 0.490414 Re\n0.916512 0.958565 0.204186 N\n0.916511 0.041434 0.704187 N\n0.492652 0.455342 0.294399 N\n0.492652 0.544658 0.794400 N\n","nsites":6,"nelements":2,"elements":["Re","N"],"chemical_system":"N-Re","density":10.474612942099805,"density_atomic":0.0883383565229666,"volume":67.92066590507707,"volume_molar":6.817130176555116,"formula_full":"Re2 N4","formula_reduced":"ReN2","formula_anonymous":"AB2","energy_above_hull":5.131794833333332,"spacegroup":102},{"id":"jvasp-112252","created_at":"2022-09-04T14:38:44.219591Z","updated_at":"2022-09-04T14:38:44.219620Z","structure_string":"H24 C22 O6\n1.0\n6.077393 0.051228 0.866775\n3.009994 8.090414 0.599534\n-0.126685 0.010468 9.149858\nH C O\n24 22 6\ndirect\n0.156196 0.903451 0.930080 H\n0.551752 0.702168 0.123972 H\n0.448248 0.297832 0.876029 H\n0.524187 0.945545 0.216135 H\n0.475813 0.054455 0.783865 H\n0.127020 0.717122 0.525031 H\n0.872980 0.282878 0.474969 H\n0.083985 0.101919 0.548312 H\n0.210534 0.819011 0.365346 H\n0.789466 0.180989 0.634654 H\n0.305678 0.450266 0.508555 H\n0.694322 0.549734 0.491445 H\n0.916014 0.898081 0.451688 H\n0.517630 0.520752 0.651093 H\n0.482370 0.479248 0.348907 H\n0.215787 0.825165 0.750369 H\n0.784212 0.174835 0.249631 H\n0.422149 0.596392 0.910953 H\n0.577851 0.403608 0.089048 H\n0.843803 0.096549 0.069920 H\n0.829447 0.366568 0.958573 H\n0.579712 0.708116 0.623941 H\n0.420287 0.291884 0.376059 H\n0.170552 0.633432 0.041427 H\n0.653428 0.573199 0.610262 C\n0.715553 0.646684 0.174543 C\n0.284446 0.353316 0.825457 C\n0.790262 0.746059 0.256545 C\n0.209738 0.253941 0.743455 C\n0.065381 0.783586 0.422709 C\n0.934619 0.216414 0.577291 C\n-0.004310 0.676812 0.328345 C\n0.004310 0.323188 0.671655 C\n0.346571 0.426801 0.389738 C\n0.129590 0.506727 0.312636 C\n0.127937 0.133166 0.154697 C\n0.053204 0.412946 0.226022 C\n0.946795 0.587054 0.773978 C\n0.846003 0.477779 0.159211 C\n0.153996 0.522221 0.840789 C\n0.770936 0.363411 0.077582 C\n0.229064 0.636589 0.922419 C\n0.872040 0.185702 0.138062 C\n0.127960 0.814298 0.861938 C\n0.872062 0.866834 0.845303 C\n0.870409 0.493273 0.687364 C\n0.795600 0.753417 0.797035 O\n0.336156 0.089256 0.727158 O\n0.663843 0.910744 0.272842 O\n0.726799 0.007439 0.867575 O\n0.273201 0.992561 0.132426 O\n0.204400 0.246583 0.202965 O\n","nsites":52,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4206078634726265,"density_atomic":0.11572303627725425,"volume":449.34873533231666,"volume_molar":5.203925643267685,"formula_full":"H24 C22 O6","formula_reduced":"H12C11O3","formula_anonymous":"A3B11C12","energy_above_hull":5.1316211730769234,"spacegroup":2},{"id":"jvasp-19601","created_at":"2022-09-04T14:38:00.799141Z","updated_at":"2022-09-04T14:38:00.799161Z","structure_string":"Ta4 B2\n1.0\n4.610561 0.007475 -1.253729\n-2.692303 3.742838 -1.253729\n-0.003824 -0.007475 4.777980\nTa B\n4 2\ndirect\n0.832627 0.667375 0.500000 Ta\n0.332627 0.832626 0.165252 Ta\n0.167375 0.332626 0.500000 Ta\n0.667375 0.167374 0.834748 Ta\n0.750001 0.750001 0.000000 B\n0.250000 0.250000 0.000000 B\n","nsites":6,"nelements":2,"elements":["Ta","B"],"chemical_system":"B-Ta","density":15.01051425258581,"density_atomic":0.07276130146415645,"volume":82.46141670453366,"volume_molar":8.276570977728618,"formula_full":"Ta4 B2","formula_reduced":"Ta2B","formula_anonymous":"AB2","energy_above_hull":5.1312603277777775,"spacegroup":140},{"id":"jvasp-109135","created_at":"2022-09-04T14:37:57.887287Z","updated_at":"2022-09-04T14:37:57.887313Z","structure_string":"Ti1 Nb3 Al2 C2\n1.0\n3.113150 0.000000 0.000000\n-1.556575 2.696067 0.000000\n-0.000000 -0.000000 13.896161\nTi Nb Al C\n1 3 2 2\ndirect\n0.666666 0.333334 0.413749 Ti\n0.333333 0.666668 0.587660 Nb\n0.333333 0.666668 0.910054 Nb\n0.666666 0.333334 0.091410 Nb\n0.666666 0.333334 0.749047 Al\n0.333333 0.666668 0.252843 Al\n0.000000 0.000000 0.494382 C\n0.000000 0.000000 0.000855 C\n","nsites":8,"nelements":4,"elements":["Ti","Nb","Al","C"],"chemical_system":"Al-C-Nb-Ti","density":5.759938826047854,"density_atomic":0.06859057166633302,"volume":116.63410590768875,"volume_molar":8.779837539910615,"formula_full":"Ti1 Nb3 Al2 C2","formula_reduced":"TiNb3(AlC)2","formula_anonymous":"AB2C2D3","energy_above_hull":5.130760266666666,"spacegroup":156},{"id":"jvasp-93685","created_at":"2022-09-04T14:35:52.592602Z","updated_at":"2022-09-04T14:35:52.592631Z","structure_string":"C2 N4\n1.0\n2.477183 0.000000 -0.000000\n-1.238591 3.223090 -0.000000\n-0.000000 -0.000000 4.581420\nC N\n2 4\ndirect\n0.887369 0.774738 0.279273 C\n0.112630 0.225262 0.779273 C\n0.924779 0.849560 0.952032 N\n0.075220 0.150440 0.452032 N\n0.736907 0.473815 0.821545 N\n0.263092 0.526185 0.321546 N\n","nsites":6,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":3.633875442743284,"density_atomic":0.16402899324209602,"volume":36.578899140985364,"volume_molar":3.671387991214283,"formula_full":"C2 N4","formula_reduced":"CN2","formula_anonymous":"AB2","energy_above_hull":5.130458833333333,"spacegroup":36},{"id":"jvasp-7744","created_at":"2022-09-04T14:36:48.779217Z","updated_at":"2022-09-04T14:36:48.779248Z","structure_string":"Mn1 C1 N2\n1.0\n3.165868 0.015423 4.095450\n1.409329 2.834916 4.095450\n0.024756 0.015423 5.176371\nMn C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 C\n0.414331 0.414329 0.414329 N\n0.585672 0.585670 0.585669 N\n","nsites":4,"nelements":3,"elements":["Mn","C","N"],"chemical_system":"C-Mn-N","density":3.431853591838184,"density_atomic":0.0870540799384986,"volume":45.94844954798091,"volume_molar":6.917700772042484,"formula_full":"Mn1 C1 N2","formula_reduced":"MnCN2","formula_anonymous":"ABC2","energy_above_hull":5.130405935344827,"spacegroup":166},{"id":"jvasp-117918","created_at":"2022-09-04T14:38:50.366455Z","updated_at":"2022-09-04T14:38:50.366483Z","structure_string":"Si1 C1 N2\n1.0\n2.857153 0.000000 0.000000\n-0.000000 2.857153 -0.000000\n0.000000 0.000000 3.786467\nSi C N\n1 1 2\ndirect\n0.500000 0.500000 0.519046 Si\n0.000000 0.000000 0.056338 C\n0.000000 0.000000 0.434701 N\n0.500000 0.500000 -0.000083 N\n","nsites":4,"nelements":3,"elements":["Si","C","N"],"chemical_system":"C-N-Si","density":3.6589481580739345,"density_atomic":0.12940731320741092,"volume":30.91015415480342,"volume_molar":4.653632480838126,"formula_full":"Si1 C1 N2","formula_reduced":"SiCN2","formula_anonymous":"ABC2","energy_above_hull":5.130098775,"spacegroup":99},{"id":"jvasp-19955","created_at":"2022-09-04T14:37:35.830741Z","updated_at":"2022-09-04T14:37:35.830762Z","structure_string":"Mo5 As4\n1.0\n3.216954 0.000000 0.778166\n1.608477 6.846620 0.389083\n-0.001262 -0.000000 7.043777\nMo As\n5 4\ndirect\n0.700608 0.919991 0.678796 Mo\n0.379403 0.321204 0.919991 Mo\n0.620598 0.678796 0.080009 Mo\n0.299393 0.080009 0.321204 Mo\n0.000000 0.000000 0.000000 Mo\n0.942806 0.771043 0.343347 As\n0.286152 0.656653 0.771043 As\n0.713848 0.343347 0.228957 As\n0.057195 0.228957 0.656653 As\n","nsites":9,"nelements":2,"elements":["Mo","As"],"chemical_system":"As-Mo","density":8.341735704562241,"density_atomic":0.05800921847193715,"volume":155.14775473753173,"volume_molar":10.381351306970808,"formula_full":"Mo5 As4","formula_reduced":"Mo5As4","formula_anonymous":"A4B5","energy_above_hull":5.129262944444445,"spacegroup":87},{"id":"jvasp-59722","created_at":"2022-09-04T14:37:30.735813Z","updated_at":"2022-09-04T14:37:30.735842Z","structure_string":"U6 Si4\n1.0\n7.312797 0.000000 0.000000\n0.000000 7.312797 0.000000\n0.000000 -0.000000 3.912636\nU Si\n6 4\ndirect\n0.815712 0.684289 0.500001 U\n0.315712 0.815712 0.500001 U\n0.184289 0.315712 0.500001 U\n0.684289 0.184289 0.500001 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 U\n0.885118 0.385118 0.000000 Si\n0.385118 0.114883 0.000000 Si\n0.614883 0.885118 0.000000 Si\n0.114883 0.614883 0.000000 Si\n","nsites":10,"nelements":2,"elements":["U","Si"],"chemical_system":"Si-U","density":12.225839116303101,"density_atomic":0.047792914777327035,"volume":209.23603522805018,"volume_molar":12.600488562076368,"formula_full":"U6 Si4","formula_reduced":"U3Si2","formula_anonymous":"A2B3","energy_above_hull":5.127749039999999,"spacegroup":127},{"id":"jvasp-101819","created_at":"2022-09-04T14:36:45.474392Z","updated_at":"2022-09-04T14:36:45.474417Z","structure_string":"H6 C7 S1 O1\n1.0\n4.662161 0.077501 -1.133328\n-0.860833 4.469543 -0.612518\n0.083621 0.087672 7.075249\nH C S O\n6 7 1 1\ndirect\n0.038255 0.387746 0.975916 H\n0.670528 0.247534 0.317040 H\n0.927092 0.900885 0.716870 H\n0.748937 0.859340 0.040965 H\n0.286154 0.136003 0.037101 H\n0.840893 0.626470 0.362803 H\n0.653064 0.709486 0.902340 C\n0.753304 0.730609 0.728871 C\n0.430165 0.474801 0.878039 C\n0.608876 0.513200 0.573964 C\n0.269998 0.370511 0.024333 C\n0.642705 0.476093 0.367751 C\n0.389541 0.562851 0.224298 C\n0.345768 0.281004 0.641582 S\n0.288898 0.786913 0.267815 O\n","nsites":15,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.543558099503731,"density_atomic":0.10090162083691002,"volume":148.65965358717972,"volume_molar":5.9683290615655675,"formula_full":"H6 C7 S1 O1","formula_reduced":"H6C7SO","formula_anonymous":"ABC6D7","energy_above_hull":5.1276129,"spacegroup":1},{"id":"jvasp-92231","created_at":"2022-09-04T14:35:57.268685Z","updated_at":"2022-09-04T14:35:57.268711Z","structure_string":"Ta6 Au2\n1.0\n5.231331 0.000000 0.000000\n0.000000 5.231331 0.000000\n-0.000000 0.000000 5.231331\nTa Au\n6 2\ndirect\n0.500000 0.250000 0.000000 Ta\n0.000000 0.500000 0.750000 Ta\n0.750000 0.000000 0.500000 Ta\n0.500000 0.750000 0.000000 Ta\n0.000000 0.500000 0.250000 Ta\n0.250000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n","nsites":8,"nelements":2,"elements":["Ta","Au"],"chemical_system":"Au-Ta","density":17.16179909767868,"density_atomic":0.05587961271119892,"volume":143.16491492785002,"volume_molar":10.776990869861725,"formula_full":"Ta6 Au2","formula_reduced":"Ta3Au","formula_anonymous":"AB3","energy_above_hull":5.1264787925,"spacegroup":223}]}