{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=100","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=98","results":[{"id":"jvasp-40624","created_at":"2022-09-04T14:37:45.063303Z","updated_at":"2022-09-04T14:37:45.063326Z","structure_string":"K2 Rh2 O5\n1.0\n3.859955 0.000000 0.000000\n-0.000000 3.859955 0.000000\n-0.000000 0.000000 8.496830\nK Rh O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.499999 0.499999 0.265911 Rh\n0.499999 0.499999 0.734089 Rh\n0.499999 0.000000 0.228339 O\n0.499999 0.000000 0.771661 O\n0.499999 0.499999 0.500000 O\n0.000000 0.499999 0.228339 O\n0.000000 0.499999 0.771661 O\n","nsites":9,"nelements":3,"elements":["K","Rh","O"],"chemical_system":"K-O-Rh","density":4.774573210662204,"density_atomic":0.07109205971057085,"volume":126.59641648646407,"volume_molar":8.470904886589679,"formula_full":"K2 Rh2 O5","formula_reduced":"K2Rh2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.983124388888889,"spacegroup":123},{"id":"jvasp-9563","created_at":"2022-09-04T14:37:01.859507Z","updated_at":"2022-09-04T14:37:01.859546Z","structure_string":"Zn4 Bi4 O10\n1.0\n3.544295 0.012593 -0.428465\n-0.008327 6.258888 0.116294\n-2.137726 -0.225992 12.018447\nZn Bi O\n4 4 10\ndirect\n0.896798 0.263370 0.146817 Zn\n0.634073 0.633754 0.883935 Zn\n0.133967 0.866242 0.383930 Zn\n0.396888 0.236649 0.646817 Zn\n0.641088 0.359307 0.391276 Bi\n-0.117511 0.761481 0.632363 Bi\n0.141217 0.140681 0.891274 Bi\n0.382426 0.738528 0.132368 Bi\n0.067001 0.151599 0.317120 O\n0.597881 0.728642 0.347795 O\n0.800981 0.576712 0.050890 O\n0.567137 0.348394 0.817128 O\n-0.715423 0.467567 0.534878 O\n0.097997 0.771349 0.847791 O\n-0.055095 0.100453 0.694924 O\n0.784673 0.032432 0.034888 O\n0.444832 0.399550 0.194924 O\n0.301038 0.923294 0.550884 O\n","nsites":18,"nelements":3,"elements":["Zn","Bi","O"],"chemical_system":"Bi-O-Zn","density":8.001828015202664,"density_atomic":0.06897422132875212,"volume":260.9670635382243,"volume_molar":8.731002168616946,"formula_full":"Zn4 Bi4 O10","formula_reduced":"Zn2Bi2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.2552018777777778,"spacegroup":26},{"id":"jvasp-85960","created_at":"2022-09-04T14:35:52.322761Z","updated_at":"2022-09-04T14:35:52.322789Z","structure_string":"La4 Pd4 O10\n1.0\n5.653002 0.000000 0.000000\n0.000000 6.724680 -0.000000\n0.000000 0.000000 6.724680\nLa Pd O\n4 4 10\ndirect\n0.500000 0.107271 0.737076 La\n0.000000 0.737076 0.892729 La\n0.500000 0.892729 0.262924 La\n0.000000 0.262924 0.107271 La\n0.000000 0.309003 0.595305 Pd\n0.500000 0.404695 0.309003 Pd\n0.000000 0.690997 0.404695 Pd\n0.500000 0.595305 0.690997 Pd\n0.742092 0.800242 0.594621 O\n0.242092 0.594621 0.199758 O\n0.757908 0.594621 0.199758 O\n0.750000 0.000000 0.000000 O\n0.257908 0.800242 0.594621 O\n0.742092 0.199758 0.405379 O\n0.757908 0.405379 0.800242 O\n0.250000 0.000000 0.000000 O\n0.257908 0.199758 0.405379 O\n0.242092 0.405379 0.800242 O\n","nsites":18,"nelements":3,"elements":["La","Pd","O"],"chemical_system":"La-O-Pd","density":7.413528510993978,"density_atomic":0.07041255772029364,"volume":255.6362186345094,"volume_molar":8.552651622061946,"formula_full":"La4 Pd4 O10","formula_reduced":"La2Pd2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.2507865444444444,"spacegroup":84},{"id":"jvasp-109022","created_at":"2022-09-04T14:37:47.512799Z","updated_at":"2022-09-04T14:37:47.512818Z","structure_string":"Ba2 Tc2 O5\n1.0\n3.962848 -0.000000 0.000000\n0.000000 3.962848 0.000000\n-0.000000 -0.000000 8.398183\nBa Tc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.242284 Tc\n0.500000 0.500000 0.757716 Tc\n0.500000 0.000000 0.237229 O\n0.500000 0.000000 0.762771 O\n-0.000000 0.500000 0.237229 O\n-0.000000 0.500000 0.762771 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":3,"elements":["Ba","Tc","O"],"chemical_system":"Ba-O-Tc","density":6.933066508194236,"density_atomic":0.06824052291323243,"volume":131.88644541079302,"volume_molar":8.824874873331686,"formula_full":"Ba2 Tc2 O5","formula_reduced":"Ba2Tc2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.724450271111111,"spacegroup":123},{"id":"jvasp-12791","created_at":"2022-09-04T14:37:10.846901Z","updated_at":"2022-09-04T14:37:10.846921Z","structure_string":"Sc8 Cu8 O20\n1.0\n3.231736 0.000000 0.000000\n0.000000 10.542983 0.000000\n0.000000 0.000000 12.103181\nSc Cu O\n8 8 20\ndirect\n0.718001 0.460503 0.669325 Sc\n0.781779 0.789357 0.999576 Sc\n0.218223 0.210643 0.499576 Sc\n0.718223 0.289357 0.999576 Sc\n0.281778 0.710643 0.499576 Sc\n0.782001 0.960503 0.669325 Sc\n0.218000 0.039497 0.169325 Sc\n0.282000 0.539496 0.169325 Sc\n0.851794 0.760358 0.278597 Cu\n0.344919 0.009661 0.890742 Cu\n0.655082 0.990339 0.390742 Cu\n0.155082 0.509661 0.890742 Cu\n0.844919 0.490339 0.390742 Cu\n0.351794 0.739641 0.778597 Cu\n0.648208 0.260359 0.278597 Cu\n0.148207 0.239641 0.778597 Cu\n0.784073 0.669024 0.135815 O\n0.215928 0.330976 0.635815 O\n0.272707 0.918835 0.033612 O\n0.287341 0.681923 0.934842 O\n0.727294 0.081164 0.533612 O\n0.227293 0.418835 0.033612 O\n0.772708 0.581164 0.533612 O\n0.717376 0.932464 0.234860 O\n0.282625 0.067536 0.734860 O\n0.782626 0.432464 0.234860 O\n0.284072 0.830975 0.635815 O\n0.217376 0.567536 0.734860 O\n0.790673 0.375257 0.834630 O\n0.290672 0.124743 0.334630 O\n0.709329 0.875257 0.834630 O\n0.787341 0.818076 0.434842 O\n0.212660 0.181923 0.934842 O\n0.712660 0.318077 0.434842 O\n0.209329 0.624743 0.334630 O\n0.715929 0.169024 0.135815 O\n","nsites":36,"nelements":3,"elements":["Sc","Cu","O"],"chemical_system":"Cu-O-Sc","density":4.783742921115243,"density_atomic":0.08729785852886594,"volume":412.3812497427555,"volume_molar":6.898383146487743,"formula_full":"Sc8 Cu8 O20","formula_reduced":"Sc2Cu2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.893720988888889,"spacegroup":33},{"id":"jvasp-15227","created_at":"2022-09-04T14:36:15.521495Z","updated_at":"2022-09-04T14:36:15.521522Z","structure_string":"Ge2 Sb2 Te5\n1.0\n2.138916 -3.704710 0.000000\n2.138916 3.704710 0.000000\n-0.000000 -0.000000 17.783029\nGe Sb Te\n2 2 5\ndirect\n0.000000 0.000000 0.661775 Ge\n0.000000 0.000000 0.338225 Ge\n0.666668 0.333334 0.885926 Sb\n0.333334 0.666668 0.114074 Sb\n0.000000 0.000000 0.000000 Te\n0.666668 0.333334 0.212600 Te\n0.333334 0.666668 0.787400 Te\n0.666668 0.333334 0.582019 Te\n0.333334 0.666668 0.417982 Te\n","nsites":9,"nelements":3,"elements":["Ge","Sb","Te"],"chemical_system":"Ge-Sb-Te","density":6.049942934908944,"density_atomic":0.031934405104131154,"volume":281.82770183609045,"volume_molar":18.857845450269412,"formula_full":"Ge2 Sb2 Te5","formula_reduced":"Ge2Sb2Te5","formula_anonymous":"A2B2C5","energy_above_hull":1.222711437037037,"spacegroup":164},{"id":"jvasp-85507","created_at":"2022-09-04T14:36:16.074506Z","updated_at":"2022-09-04T14:36:16.074531Z","structure_string":"Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n","nsites":18,"nelements":3,"elements":["Si","H","O"],"chemical_system":"H-O-Si","density":2.145833829642472,"density_atomic":0.08416511417054086,"volume":213.8653309912611,"volume_molar":7.155150705074248,"formula_full":"Si4 H4 O10","formula_reduced":"Si2H2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.8362794111111107,"spacegroup":9},{"id":"jvasp-9550","created_at":"2022-09-04T14:37:07.218377Z","updated_at":"2022-09-04T14:37:07.218398Z","structure_string":"Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n","nsites":18,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.520693212599816,"density_atomic":0.085057564581337,"volume":211.62138945075662,"volume_molar":7.080076639440197,"formula_full":"Mg4 Ti4 O10","formula_reduced":"Mg2Ti2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.0504535851851853,"spacegroup":26},{"id":"jvasp-98028","created_at":"2022-09-04T14:35:47.290368Z","updated_at":"2022-09-04T14:35:47.290393Z","structure_string":"Na8 Te8 O20\n1.0\n4.748213 0.000000 -0.986876\n-0.428782 9.445539 -2.063023\n0.036742 0.076360 12.092897\nNa Te O\n8 8 20\ndirect\n0.933090 0.590289 0.897025 Na\n0.163965 0.206787 0.341126 Na\n0.822839 0.293214 0.658874 Na\n0.836034 0.793214 0.658874 Na\n0.177161 0.706787 0.341126 Na\n0.066910 0.409711 0.102975 Na\n0.963934 0.090289 0.897025 Na\n0.036066 0.909712 0.102975 Na\n0.776293 0.954672 0.379192 Te\n0.554013 0.175057 0.119973 Te\n0.434039 0.324943 0.880027 Te\n0.445986 0.824943 0.880027 Te\n0.565960 0.675057 0.119973 Te\n0.602899 0.454672 0.379192 Te\n0.223706 0.045328 0.620808 Te\n0.397101 0.545328 0.620808 Te\n0.236979 0.459573 0.296322 O\n0.940657 0.040427 0.703678 O\n0.499596 0.363143 0.495131 O\n0.944995 0.654093 0.105147 O\n0.004465 0.136857 0.504869 O\n0.500404 0.636857 0.504869 O\n0.995535 0.863144 0.495131 O\n0.644968 0.241785 0.292930 O\n0.352037 0.258215 0.707070 O\n0.355032 0.758215 0.707070 O\n0.059343 0.959574 0.296322 O\n0.647962 0.741785 0.292930 O\n0.480432 0.136262 0.906888 O\n0.426455 0.636262 0.906888 O\n0.519568 0.863738 0.093112 O\n0.160152 0.154093 0.105148 O\n0.055005 0.345908 0.894853 O\n0.839847 0.845908 0.894853 O\n0.573545 0.363738 0.093112 O\n0.763020 0.540427 0.703678 O\n","nsites":36,"nelements":3,"elements":["Na","Te","O"],"chemical_system":"Na-O-Te","density":4.658539726520617,"density_atomic":0.06623950119373435,"volume":543.4823534481154,"volume_molar":9.09146453622395,"formula_full":"Na8 Te8 O20","formula_reduced":"Na2Te2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.4726456703703703,"spacegroup":15},{"id":"jvasp-99769","created_at":"2022-09-04T14:36:33.146689Z","updated_at":"2022-09-04T14:36:33.146718Z","structure_string":"Eu2 Co2 O5\n1.0\n3.772138 0.000000 0.000000\n0.000000 3.772138 0.000000\n0.000000 -0.000000 6.803711\nEu Co O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.196682 Co\n0.500000 0.500000 0.803318 Co\n0.500000 0.000000 0.229422 O\n0.500000 0.000000 0.770578 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.229422 O\n0.000000 0.500000 0.770578 O\n","nsites":9,"nelements":3,"elements":["Eu","Co","O"],"chemical_system":"Co-Eu-O","density":8.606990023655774,"density_atomic":0.09296543512684564,"volume":96.81017453121207,"volume_molar":6.477827755856956,"formula_full":"Eu2 Co2 O5","formula_reduced":"Eu2Co2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.586168811111111,"spacegroup":123},{"id":"jvasp-39380","created_at":"2022-09-04T14:37:55.537990Z","updated_at":"2022-09-04T14:37:55.538022Z","structure_string":"Lu2 Ta2 O5\n1.0\n3.463243 0.000000 0.000000\n0.000000 3.463243 0.000000\n0.000000 -0.000000 9.704473\nLu Ta O\n2 2 5\ndirect\n0.500000 0.500000 0.734623 Lu\n0.500000 0.500000 0.265377 Lu\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.875497 O\n0.500000 0.000000 0.124503 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.875497 O\n0.000000 0.500000 0.124503 O\n","nsites":9,"nelements":3,"elements":["Lu","Ta","O"],"chemical_system":"Lu-O-Ta","density":11.296434434766228,"density_atomic":0.07732227494837922,"volume":116.39595454231592,"volume_molar":7.788364690537644,"formula_full":"Lu2 Ta2 O5","formula_reduced":"Lu2Ta2O5","formula_anonymous":"A2B2C5","energy_above_hull":3.4205841555555554,"spacegroup":123},{"id":"jvasp-39281","created_at":"2022-09-04T14:37:55.497376Z","updated_at":"2022-09-04T14:37:55.497385Z","structure_string":"Ho2 Ge2 O5\n1.0\n4.097776 0.000000 -0.000000\n0.000000 4.097776 -0.000000\n-0.000000 -0.000000 6.594864\nHo Ge O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.213433 Ge\n0.500000 0.500000 0.786566 Ge\n0.500000 0.000000 0.231463 O\n0.500000 0.000000 0.768537 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.231463 O\n0.000000 0.500000 0.768537 O\n","nsites":9,"nelements":3,"elements":["Ho","Ge","O"],"chemical_system":"Ge-Ho-O","density":8.324295704840857,"density_atomic":0.08127186697656648,"volume":110.73942724356283,"volume_molar":7.4098713171390465,"formula_full":"Ho2 Ge2 O5","formula_reduced":"Ho2Ge2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.928837837037037,"spacegroup":123}]}