{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4401","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4399","results":[{"id":"jvasp-108177","created_at":"2022-09-04T14:38:14.318162Z","updated_at":"2022-09-04T14:38:14.318194Z","structure_string":"Ti1 Al1 F5\n1.0\n5.038903 0.002153 -1.529796\n-0.892720 3.263340 -4.035404\n-0.024061 -0.002153 5.265951\nTi Al F\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Al\n0.795722 0.500000 0.295722 F\n0.204277 0.500000 0.704278 F\n0.266560 0.266560 -0.000000 F\n0.733439 0.733439 -0.000001 F\n0.500000 -0.000000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Ti","Al","F"],"chemical_system":"Al-F-Ti","density":3.262879422362048,"density_atomic":0.0809857424936455,"volume":86.43496724808384,"volume_molar":7.436050562199296,"formula_full":"Ti1 Al1 F5","formula_reduced":"TiAlF5","formula_anonymous":"ABC5","energy_above_hull":0.2990846494047617,"spacegroup":71},{"id":"jvasp-19035","created_at":"2022-09-04T14:38:13.020574Z","updated_at":"2022-09-04T14:38:13.020601Z","structure_string":"K4 Au4 Se20\n1.0\n7.882566 -0.000000 3.410835\n2.497020 9.398821 5.043163\n-0.060866 0.030702 10.954533\nK Au Se\n4 4 20\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.250000 0.881076 0.618924 Au\n0.250000 0.618924 0.881076 Au\n0.750000 0.381076 0.118924 Au\n0.750000 0.118924 0.381075 Au\n0.560504 0.778714 0.522598 Se\n0.439496 0.221285 0.477401 Se\n0.638183 0.278714 0.022598 Se\n0.938547 0.352424 0.647576 Se\n0.438547 0.147576 0.852423 Se\n0.561453 0.852424 0.147576 Se\n0.061453 0.647576 0.352424 Se\n0.842573 0.718155 0.053811 Se\n0.114540 0.781844 0.446189 Se\n0.657427 0.446189 0.781844 Se\n0.385460 0.053811 0.718155 Se\n0.157427 0.281844 0.946189 Se\n0.885460 0.218156 0.553811 Se\n0.060504 0.022599 0.278714 Se\n0.614540 0.946189 0.281844 Se\n0.138182 0.522598 0.778714 Se\n0.939496 0.977401 0.721285 Se\n0.361817 0.721285 0.977401 Se\n0.861818 0.477401 0.221285 Se\n0.342573 0.553811 0.218156 Se\n","nsites":28,"nelements":3,"elements":["K","Au","Se"],"chemical_system":"Au-K-Se","density":5.1567958635691395,"density_atomic":0.034458196150104106,"volume":812.5788093499899,"volume_molar":17.47665703035301,"formula_full":"K4 Au4 Se20","formula_reduced":"KAuSe5","formula_anonymous":"ABC5","energy_above_hull":1.0312347098412695,"spacegroup":72},{"id":"jvasp-17550","created_at":"2022-09-04T14:38:30.099233Z","updated_at":"2022-09-04T14:38:30.099248Z","structure_string":"Tm1 In5 Co1\n1.0\n4.557457 0.000000 0.000000\n0.000000 4.557457 0.000000\n0.000000 0.000000 7.482777\nTm In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.694870 In\n0.000000 0.500000 0.305130 In\n0.500000 0.000000 0.305130 In\n0.000000 0.500000 0.694870 In\n0.000000 0.000000 0.500000 Co\n","nsites":7,"nelements":3,"elements":["Tm","In","Co"],"chemical_system":"Co-In-Tm","density":8.568256067724814,"density_atomic":0.04503913881532918,"volume":155.42037845576064,"volume_molar":13.370905657615172,"formula_full":"Tm1 In5 Co1","formula_reduced":"TmIn5Co","formula_anonymous":"ABC5","energy_above_hull":0.3245935714285713,"spacegroup":123},{"id":"jvasp-112335","created_at":"2022-09-04T14:38:26.338084Z","updated_at":"2022-09-04T14:38:26.338100Z","structure_string":"Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n","nsites":14,"nelements":3,"elements":["Ca","Ga","H"],"chemical_system":"Ca-Ga-H","density":2.0786876137761268,"density_atomic":0.07630312761406059,"volume":183.47871755416983,"volume_molar":7.892390454110668,"formula_full":"Ca2 Ga2 H10","formula_reduced":"CaGaH5","formula_anonymous":"ABC5","energy_above_hull":1.9194575350000005,"spacegroup":4},{"id":"jvasp-119492","created_at":"2022-09-04T14:38:51.414289Z","updated_at":"2022-09-04T14:38:51.414310Z","structure_string":"Mn2 V2 Ga10\n1.0\n8.886299 0.032993 0.000000\n-0.026145 8.886322 0.000000\n0.000000 0.000000 2.683252\nMn V Ga\n2 2 10\ndirect\n0.821686 0.178314 0.500000 Mn\n0.178314 0.821686 0.500000 Mn\n0.320280 0.320280 0.500000 V\n0.679719 0.679719 0.500000 V\n0.939319 0.704826 -0.000000 Ga\n0.060681 0.295173 -0.000000 Ga\n0.435299 0.795469 -0.000000 Ga\n0.564700 0.204530 -0.000000 Ga\n0.204530 0.564700 -0.000000 Ga\n0.795469 0.435299 -0.000000 Ga\n0.295173 0.060681 -0.000000 Ga\n0.704826 0.939318 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n","nsites":14,"nelements":3,"elements":["Mn","V","Ga"],"chemical_system":"Ga-Mn-V","density":7.123584730643025,"density_atomic":0.066072214321034,"volume":211.88937201311748,"volume_molar":9.114483027221414,"formula_full":"Mn2 V2 Ga10","formula_reduced":"MnVGa5","formula_anonymous":"ABC5","energy_above_hull":1.021483295197044,"spacegroup":65},{"id":"jvasp-103739","created_at":"2022-09-04T14:36:50.004314Z","updated_at":"2022-09-04T14:36:50.004329Z","structure_string":"Al1 Co1 F5\n1.0\n4.959692 -0.006885 -1.422033\n-0.885518 3.203861 -3.946126\n-0.035304 0.006885 5.159407\nAl Co F\n1 1 5\ndirect\n0.500000 0.500001 0.000000 Al\n0.000000 0.000000 0.000000 Co\n0.797216 0.500001 0.297217 F\n0.202784 0.499999 0.702783 F\n0.258042 0.258043 0.000000 F\n0.741957 0.741959 0.000000 F\n0.500000 -0.000000 0.500001 F\n","nsites":7,"nelements":3,"elements":["Al","Co","F"],"chemical_system":"Al-Co-F","density":3.6663996591296075,"density_atomic":0.08543463646492558,"volume":81.93398239452668,"volume_molar":7.048828214388593,"formula_full":"Al1 Co1 F5","formula_reduced":"AlCoF5","formula_anonymous":"ABC5","energy_above_hull":0.2790450160714286,"spacegroup":71},{"id":"jvasp-12090","created_at":"2022-09-04T14:37:04.412282Z","updated_at":"2022-09-04T14:37:04.412305Z","structure_string":"Nb2 Cr2 Se10\n1.0\n3.552150 0.000000 0.000000\n0.000000 8.291907 -4.067649\n0.000000 -0.071740 10.485808\nNb Cr Se\n2 2 10\ndirect\n0.750000 0.734959 0.637685 Nb\n0.250000 0.265041 0.362315 Nb\n0.250000 0.573961 0.897769 Cr\n0.750000 0.426039 0.102231 Cr\n0.750000 0.480964 0.363938 Se\n0.250000 0.638145 0.152117 Se\n0.250000 0.519036 0.636062 Se\n0.750000 0.163756 0.497448 Se\n0.250000 0.836244 0.502552 Se\n0.250000 0.977082 0.759056 Se\n0.250000 0.223028 0.084297 Se\n0.750000 0.022919 0.240944 Se\n0.750000 0.776972 0.915703 Se\n0.750000 0.361855 0.847883 Se\n","nsites":14,"nelements":3,"elements":["Nb","Cr","Se"],"chemical_system":"Cr-Nb-Se","density":5.822988320927062,"density_atomic":0.0454820936290751,"volume":307.8134466318915,"volume_molar":13.240685024557132,"formula_full":"Nb2 Cr2 Se10","formula_reduced":"NbCrSe5","formula_anonymous":"ABC5","energy_above_hull":2.7246476619047617,"spacegroup":11},{"id":"jvasp-32153","created_at":"2022-09-04T14:36:59.696595Z","updated_at":"2022-09-04T14:36:59.696608Z","structure_string":"Mg1 Al1 F5\n1.0\n-3.319377 0.000000 0.000000\n-1.659688 -4.084549 3.822323\n-1.659688 4.084549 3.822323\nMg Al F\n1 1 5\ndirect\n0.000001 0.500000 0.500000 Mg\n0.500001 -0.000000 -0.000000 Al\n0.663795 0.336206 0.336206 F\n0.336208 0.663793 0.663793 F\n0.500002 0.209963 0.790036 F\n0.500002 0.790036 0.209963 F\n0.000000 0.000000 0.000000 F\n","nsites":7,"nelements":3,"elements":["Mg","Al","F"],"chemical_system":"Al-F-Mg","density":2.3435363147292803,"density_atomic":0.06753672077809826,"volume":103.64731836772947,"volume_molar":8.916839151528576,"formula_full":"Mg1 Al1 F5","formula_reduced":"MgAlF5","formula_anonymous":"ABC5","energy_above_hull":0.0,"spacegroup":71},{"id":"jvasp-9515","created_at":"2022-09-04T14:36:47.147094Z","updated_at":"2022-09-04T14:36:47.147122Z","structure_string":"Cr2 P2 O10\n1.0\n4.995391 0.212197 0.166726\n-0.468449 4.978356 -0.033968\n-1.822016 -2.374649 6.573357\nCr P O\n2 2 10\ndirect\n0.497257 0.948995 0.464044 Cr\n0.934785 0.497597 0.976726 Cr\n0.069820 0.894270 0.750046 P\n0.958049 0.156138 0.282823 P\n0.137306 0.190420 0.916388 O\n0.753845 0.828809 0.647584 O\n0.870841 0.869128 0.111118 O\n0.274563 0.206605 0.385027 O\n0.796232 0.168401 0.442505 O\n0.890340 0.405817 0.203324 O\n0.235538 0.873223 0.594705 O\n0.148105 0.662382 0.847498 O\n0.424169 0.691514 0.261853 O\n0.650809 0.372751 0.814142 O\n","nsites":14,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.2715679516765324,"density_atomic":0.08462634509337638,"volume":165.43311641962623,"volume_molar":7.116153667460403,"formula_full":"Cr2 P2 O10","formula_reduced":"CrPO5","formula_anonymous":"ABC5","energy_above_hull":2.940805771428571,"spacegroup":1},{"id":"jvasp-50632","created_at":"2022-09-04T14:36:48.628636Z","updated_at":"2022-09-04T14:36:48.628660Z","structure_string":"Ba2 Y2 F10\n1.0\n5.176600 3.729611 0.042657\n-5.176600 3.729611 -0.042657\n-3.712153 0.000000 7.827271\nBa Y F\n2 2 10\ndirect\n0.457470 0.457470 0.750000 Ba\n0.542530 0.542530 0.250000 Ba\n0.000000 -0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.210207 0.754611 0.616848 F\n0.717071 0.699264 0.972167 F\n0.245389 0.789793 0.116848 F\n0.074311 0.074310 0.750000 F\n0.699264 0.717071 0.527832 F\n0.300736 0.282929 0.472167 F\n0.925689 0.925689 0.250000 F\n0.754611 0.210207 0.883152 F\n0.282929 0.300735 0.027832 F\n0.789793 0.245389 0.383152 F\n","nsites":14,"nelements":3,"elements":["Ba","Y","F"],"chemical_system":"Ba-F-Y","density":3.5159751555592567,"density_atomic":0.04614084923279428,"volume":303.41877604735544,"volume_molar":13.051646989886365,"formula_full":"Ba2 Y2 F10","formula_reduced":"BaYF5","formula_anonymous":"ABC5","energy_above_hull":0.0212028571428573,"spacegroup":15},{"id":"jvasp-8358","created_at":"2022-09-04T14:37:07.725017Z","updated_at":"2022-09-04T14:37:07.725045Z","structure_string":"Al1 Co1 F5\n1.0\n3.340076 -0.000000 1.228282\n1.367218 4.771240 1.437601\n-0.004320 0.020919 5.167229\nAl Co F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Co\n0.500001 0.797203 0.202796 F\n0.500001 0.202797 0.797203 F\n0.742061 0.257940 0.257939 F\n0.257941 0.742060 0.742060 F\n0.000000 0.500000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Al","Co","F"],"chemical_system":"Al-Co-F","density":3.6498041190186052,"density_atomic":0.08504792632196774,"volume":82.30653353616114,"volume_molar":7.080879006034614,"formula_full":"Al1 Co1 F5","formula_reduced":"AlCoF5","formula_anonymous":"ABC5","energy_above_hull":0.2805435874999999,"spacegroup":71},{"id":"jvasp-8381","created_at":"2022-09-04T14:36:47.733059Z","updated_at":"2022-09-04T14:36:47.733088Z","structure_string":"Y1 Mn1 F5\n1.0\n3.960782 -0.000000 1.456542\n1.653297 5.314866 1.617742\n0.117067 -0.005866 5.795217\nY Mn F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mn\n0.500000 0.814001 0.185998 F\n0.500001 0.185998 0.814001 F\n0.765333 0.234667 0.234667 F\n0.234668 0.765333 0.765333 F\n0.000001 0.500000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Y","Mn","F"],"chemical_system":"F-Mn-Y","density":3.274612156425476,"density_atomic":0.0577975174891156,"volume":121.11246821834928,"volume_molar":10.419376162884653,"formula_full":"Y1 Mn1 F5","formula_reduced":"YMnF5","formula_anonymous":"ABC5","energy_above_hull":0.5660805862684726,"spacegroup":71}]}