{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=493","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=491","results":[{"id":"jvasp-119303","created_at":"2022-09-04T14:38:50.507206Z","updated_at":"2022-09-04T14:38:50.507236Z","structure_string":"Ti12 Al8 Ni4 O4\n1.0\n6.956696 -0.000000 4.016450\n2.318899 6.558836 4.016450\n-0.000000 -0.000000 8.032900\nTi Al Ni O\n12 8 4 4\ndirect\n0.565287 0.934714 0.565286 Ti\n0.315287 0.684714 0.684713 Ti\n0.684714 0.315287 0.315286 Ti\n0.315287 0.684714 0.315286 Ti\n0.684714 0.684714 0.315286 Ti\n0.315287 0.315287 0.684713 Ti\n0.565287 0.565287 0.934713 Ti\n0.934714 0.565287 0.565286 Ti\n0.565287 0.934714 0.934713 Ti\n0.934714 0.934714 0.565286 Ti\n0.684714 0.315287 0.684713 Ti\n0.934714 0.565287 0.934713 Ti\n0.916818 0.916818 0.916817 Al\n0.000452 0.333182 0.333182 Al\n0.333182 0.333182 0.000452 Al\n0.333182 0.000452 0.333182 Al\n0.249548 0.916818 0.916817 Al\n0.916818 0.249548 0.916817 Al\n0.333182 0.333182 0.333182 Al\n0.916818 0.916818 0.249547 Al\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.125000 O\n","nsites":28,"nelements":4,"elements":["Ti","Al","Ni","O"],"chemical_system":"Al-Ni-O-Ti","density":4.933848272149587,"density_atomic":0.07639340599747717,"volume":366.5237808735047,"volume_molar":7.88306357252729,"formula_full":"Ti12 Al8 Ni4 O4","formula_reduced":"Ti3Al2NiO","formula_anonymous":"ABC2D3","energy_above_hull":2.8079266428571428,"spacegroup":227},{"id":"jvasp-109714","created_at":"2022-09-04T14:38:49.799951Z","updated_at":"2022-09-04T14:38:49.799981Z","structure_string":"Mn1 In2 Se2 S2\n1.0\n3.841243 -0.105999 12.020174\n1.785767 3.402561 12.020174\n-0.180934 -0.105999 12.617725\nMn In Se S\n1 2 2 2\ndirect\n0.779549 0.779548 0.779547 Mn\n0.003833 0.003833 0.003833 In\n0.223489 0.223489 0.223488 In\n0.293801 0.293800 0.293800 Se\n0.708652 0.708651 0.708651 Se\n0.863563 0.863562 0.863561 S\n0.123117 0.123117 0.123117 S\n","nsites":7,"nelements":4,"elements":["Mn","In","Se","S"],"chemical_system":"In-Mn-S-Se","density":4.738144260686888,"density_atomic":0.03942497475071927,"volume":177.55242823262154,"volume_molar":15.274938787094927,"formula_full":"Mn1 In2 Se2 S2","formula_reduced":"MnIn2(SeS)2","formula_anonymous":"AB2C2D2","energy_above_hull":1.5314119878160917,"spacegroup":160},{"id":"jvasp-111341","created_at":"2022-09-04T14:38:49.811794Z","updated_at":"2022-09-04T14:38:49.811822Z","structure_string":"Sr1 Mn2 Bi1 O6\n1.0\n5.508288 -0.000043 -0.069223\n-2.754362 3.869422 2.788870\n-0.000634 0.000043 5.508723\nSr Mn Bi O\n1 2 1 6\ndirect\n0.028639 0.000002 0.971361 Sr\n0.782428 0.500009 0.717577 Mn\n0.282424 0.500009 0.217572 Mn\n0.488822 0.000022 0.511179 Bi\n0.541892 0.000000 0.938007 O\n0.061993 0.000001 0.458108 O\n0.541855 0.479894 0.458145 O\n0.061979 0.520124 0.938022 O\n0.542210 0.499968 0.957809 O\n0.042191 0.499968 0.457790 O\n","nsites":10,"nelements":4,"elements":["Sr","Mn","Bi","O"],"chemical_system":"Bi-Mn-O-Sr","density":7.106463277557739,"density_atomic":0.0851710072915836,"volume":117.4108457560555,"volume_molar":7.070646398936148,"formula_full":"Sr1 Mn2 Bi1 O6","formula_reduced":"SrMn2BiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.580659609275862,"spacegroup":107},{"id":"jvasp-117395","created_at":"2022-09-04T14:38:49.813823Z","updated_at":"2022-09-04T14:38:49.813849Z","structure_string":"Mg2 Ti1 Mn3 S8\n1.0\n6.313812 0.006439 3.637580\n2.101402 5.954444 3.637077\n0.010133 0.008691 7.289411\nMg Ti Mn S\n2 1 3 8\ndirect\n0.872473 0.872437 0.872207 Mg\n0.127534 0.127558 0.127793 Mg\n0.500001 0.500004 0.499994 Ti\n0.499997 0.499999 0.000001 Mn\n0.999996 0.499994 0.500008 Mn\n0.500003 0.000002 0.499999 Mn\n0.736950 0.736982 0.736682 S\n0.261415 0.261527 0.719491 S\n0.261469 0.719275 0.261584 S\n0.719230 0.261456 0.261622 S\n0.738522 0.280721 0.738421 S\n0.280774 0.738548 0.738371 S\n0.263046 0.263016 0.263325 S\n0.738589 0.738473 0.280510 S\n","nsites":14,"nelements":4,"elements":["Mg","Ti","Mn","S"],"chemical_system":"Mg-Mn-S-Ti","density":3.142754958147125,"density_atomic":0.05117031296394678,"volume":273.5961378595441,"volume_molar":11.76881752558957,"formula_full":"Mg2 Ti1 Mn3 S8","formula_reduced":"Mg2TiMn3S8","formula_anonymous":"AB2C3D8","energy_above_hull":2.575171296962233,"spacegroup":166},{"id":"jvasp-116553","created_at":"2022-09-04T14:38:49.816186Z","updated_at":"2022-09-04T14:38:49.816213Z","structure_string":"Ag10 Te2 P2 O8\n1.0\n7.008026 -0.000000 0.000000\n0.000000 7.008026 0.000000\n-0.000000 -0.000000 7.399950\nAg Te P O\n10 2 2 8\ndirect\n0.779941 0.720060 0.199709 Ag\n0.220059 0.720060 0.199709 Ag\n0.779941 0.279941 0.199709 Ag\n0.220059 0.279941 0.199709 Ag\n0.720060 0.779941 0.800291 Ag\n0.279941 0.779941 0.800291 Ag\n0.720060 0.220059 0.800291 Ag\n0.279941 0.220059 0.800291 Ag\n-0.000000 0.500000 0.464981 Ag\n0.500000 0.000000 0.535018 Ag\n0.500000 0.000000 0.019347 Te\n-0.000000 0.500000 -0.019347 Te\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.316462 0.379645 O\n0.500000 0.683539 0.379645 O\n0.816462 0.000000 0.379645 O\n0.183539 0.000000 0.379645 O\n-0.000000 0.183539 0.620355 O\n-0.000000 0.816462 0.620355 O\n0.683539 0.500000 0.620355 O\n0.316462 0.500000 0.620355 O\n","nsites":22,"nelements":4,"elements":["Ag","Te","P","O"],"chemical_system":"Ag-O-P-Te","density":6.9624793330459385,"density_atomic":0.060534434085414764,"volume":363.42951466198156,"volume_molar":9.948289516513348,"formula_full":"Ag10 Te2 P2 O8","formula_reduced":"Ag5TePO4","formula_anonymous":"ABC4D5","energy_above_hull":1.256220324242424,"spacegroup":129},{"id":"jvasp-111349","created_at":"2022-09-04T14:38:49.823063Z","updated_at":"2022-09-04T14:38:49.823081Z","structure_string":"Na1 Bi3 Br2 O4\n1.0\n6.904504 0.030005 0.000000\n-4.645629 5.107955 0.000000\n-0.000000 -0.000000 5.604284\nNa Bi Br O\n1 3 2 4\ndirect\n0.344881 0.655117 0.500000 Na\n0.840743 0.159255 -0.000000 Bi\n0.161622 0.838377 -0.000000 Bi\n0.660554 0.339444 0.500000 Bi\n0.494601 0.505397 -0.000000 Br\n0.003002 0.996997 0.500000 Br\n0.505776 0.008479 0.756400 O\n0.991519 0.494222 0.243600 O\n0.991519 0.494222 0.756400 O\n0.505776 0.008479 0.243600 O\n","nsites":10,"nelements":4,"elements":["Na","Bi","Br","O"],"chemical_system":"Bi-Br-Na-O","density":7.311673902536597,"density_atomic":0.050394971431486246,"volume":198.43249665485683,"volume_molar":11.94988426213777,"formula_full":"Na1 Bi3 Br2 O4","formula_reduced":"NaBi3(BrO2)2","formula_anonymous":"AB2C3D4","energy_above_hull":1.2293884110000004,"spacegroup":38},{"id":"jvasp-117240","created_at":"2022-09-04T14:38:49.871465Z","updated_at":"2022-09-04T14:38:49.871494Z","structure_string":"Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n","nsites":14,"nelements":4,"elements":["Mg","Ga","Mo","S"],"chemical_system":"Ga-Mg-Mo-S","density":3.84848178233746,"density_atomic":0.050980018444256085,"volume":274.61739770275386,"volume_molar":11.812747315077745,"formula_full":"Mg2 Ga2 Mo2 S8","formula_reduced":"MgGaMoS4","formula_anonymous":"ABCD4","energy_above_hull":1.8722338964285716,"spacegroup":44},{"id":"jvasp-116820","created_at":"2022-09-04T14:38:49.854776Z","updated_at":"2022-09-04T14:38:49.854787Z","structure_string":"Li8 V4 O4 F12\n1.0\n5.862072 -0.004363 0.000000\n-0.154895 8.459350 0.000021\n-0.000013 0.000000 5.817730\nLi V O F\n8 4 4 12\ndirect\n0.506896 -0.001320 0.500000 Li\n0.006836 0.498711 -0.000000 Li\n0.999006 0.007418 0.500000 Li\n0.498957 0.507400 -0.000000 Li\n0.219983 0.117100 -0.000000 Li\n0.720007 0.617103 0.500000 Li\n0.275742 0.371290 0.500000 Li\n0.775737 0.871288 -0.000001 Li\n0.245815 0.749995 0.738918 V\n0.245816 0.749995 0.261082 V\n0.745810 0.249996 0.238919 V\n0.745810 0.249996 0.761080 V\n0.470806 0.757527 0.500000 O\n0.970798 0.257539 0.000001 O\n0.052599 0.745980 0.000000 O\n0.552599 0.245968 0.499999 O\n0.992472 0.245945 0.500001 F\n0.492471 0.745935 0.000000 F\n0.491152 0.254607 -0.000001 F\n-0.008844 0.754619 0.499999 F\n0.755461 0.011712 0.743636 F\n0.255426 0.511712 0.243641 F\n0.755459 0.011712 0.256363 F\n0.255425 0.511712 0.756359 F\n0.744426 0.489017 0.232717 F\n0.244450 0.989014 0.732715 F\n0.744426 0.489017 0.767284 F\n0.244448 0.989015 0.267285 F\n","nsites":28,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.173069553317879,"density_atomic":0.09705596809730077,"volume":288.493335844421,"volume_molar":6.204812417060917,"formula_full":"Li8 V4 O4 F12","formula_reduced":"Li2VOF3","formula_anonymous":"ABC2D3","energy_above_hull":0.8428212210714287,"spacegroup":8},{"id":"jvasp-109801","created_at":"2022-09-04T14:38:49.858161Z","updated_at":"2022-09-04T14:38:49.858192Z","structure_string":"Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n","nsites":7,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.386370838611093,"density_atomic":0.05519193829186047,"volume":126.83011716282371,"volume_molar":10.911268830883088,"formula_full":"Zr1 Cr1 Cu1 S4","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy_above_hull":2.503500335714287,"spacegroup":8},{"id":"jvasp-119486","created_at":"2022-09-04T14:38:49.876700Z","updated_at":"2022-09-04T14:38:49.876734Z","structure_string":"Sm4 U4 Se6 O8\n1.0\n3.978779 -0.000000 0.000000\n0.000000 7.046214 0.000000\n-0.000000 -0.000000 14.956055\nSm U Se O\n4 4 6 8\ndirect\n-0.000000 0.707429 0.152885 Sm\n-0.000000 0.292570 0.847115 Sm\n-0.000000 0.207429 0.347115 Sm\n-0.000000 0.792570 0.652885 Sm\n0.500000 0.792432 0.424134 U\n0.500000 0.207567 0.575866 U\n0.500000 0.292433 0.075866 U\n0.500000 0.707567 0.924134 U\n0.000000 0.000000 0.000000 Se\n-0.000000 0.500000 0.500000 Se\n0.500000 0.996886 0.777762 Se\n0.500000 0.003113 0.222238 Se\n0.500000 0.496887 0.722238 Se\n0.500000 0.503113 0.277762 Se\n-0.000000 0.887488 0.388861 O\n-0.000000 0.112511 0.611139 O\n-0.000000 0.387489 0.111139 O\n-0.000000 0.612511 0.888861 O\n0.500000 0.638015 0.067220 O\n0.500000 0.361985 0.932780 O\n0.500000 0.138015 0.432780 O\n0.500000 0.861985 0.567220 O\n","nsites":22,"nelements":4,"elements":["Sm","U","Se","O"],"chemical_system":"O-Se-Sm-U","density":8.535644345006675,"density_atomic":0.0524686610073943,"volume":419.297911888767,"volume_molar":11.477595662582873,"formula_full":"Sm4 U4 Se6 O8","formula_reduced":"Sm2U2Se3O4","formula_anonymous":"A2B2C3D4","energy_above_hull":2.911084895454545,"spacegroup":55},{"id":"jvasp-117433","created_at":"2022-09-04T14:38:49.880863Z","updated_at":"2022-09-04T14:38:49.880885Z","structure_string":"Li3 Fe2 Ni1 O6\n1.0\n6.295700 -0.011370 1.453403\n5.664729 2.747146 1.453403\n-0.017642 -0.004035 5.728151\nLi Fe Ni O\n3 2 1 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.165086 0.165086 0.157890 Li\n0.834915 0.834914 0.842109 Li\n0.169824 0.169822 0.661794 Fe\n0.830177 0.830178 0.338205 Fe\n0.499999 0.500001 -0.000000 Ni\n0.669956 0.669955 0.889378 O\n0.328252 0.328251 0.571363 O\n0.330044 0.330045 0.110621 O\n0.986372 0.986374 0.244638 O\n0.013629 0.013626 0.755361 O\n0.671748 0.671748 0.428636 O\n","nsites":12,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.792457436362719,"density_atomic":0.12058734780326123,"volume":99.51292750528066,"volume_molar":4.994007140637298,"formula_full":"Li3 Fe2 Ni1 O6","formula_reduced":"Li3Fe2NiO6","formula_anonymous":"AB2C3D6","energy_above_hull":2.344200366666666,"spacegroup":12},{"id":"jvasp-110163","created_at":"2022-09-04T14:38:49.938854Z","updated_at":"2022-09-04T14:38:49.938874Z","structure_string":"Ta2 Ti2 Nb1 C5\n1.0\n3.119078 0.001621 12.526374\n1.537457 2.713831 12.526374\n0.002780 0.001621 12.908861\nTa Ti Nb C\n2 2 1 5\ndirect\n0.899991 0.899987 0.899987 Ta\n0.498251 0.498249 0.498249 Ta\n0.098620 0.098619 0.098620 Ti\n0.701372 0.701370 0.701370 Ti\n0.301648 0.301647 0.301647 Nb\n0.400218 0.400217 0.400217 C\n0.199119 0.199119 0.199119 C\n0.798362 0.798359 0.798359 C\n0.002409 0.002409 0.002409 C\n0.600020 0.600018 0.600018 C\n","nsites":10,"nelements":4,"elements":["Ta","Ti","Nb","C"],"chemical_system":"C-Nb-Ta-Ti","density":9.292507664827848,"density_atomic":0.09165040728550694,"volume":109.11026253105742,"volume_molar":6.570773593225816,"formula_full":"Ta2 Ti2 Nb1 C5","formula_reduced":"Ta2Ti2NbC5","formula_anonymous":"AB2C2D5","energy_above_hull":6.722880446666666,"spacegroup":160}]}