{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=98","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=96","results":[{"id":"jvasp-85508","created_at":"2022-09-04T14:35:42.869843Z","updated_at":"2022-09-04T14:35:42.869872Z","structure_string":"Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n","nsites":18,"nelements":3,"elements":["Si","H","O"],"chemical_system":"H-O-Si","density":2.167035146529355,"density_atomic":0.08499668427242876,"volume":211.77296684076467,"volume_molar":7.085147863766096,"formula_full":"Si4 H4 O10","formula_reduced":"Si2H2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.846526077777777,"spacegroup":1},{"id":"jvasp-102853","created_at":"2022-09-04T14:36:58.623300Z","updated_at":"2022-09-04T14:36:58.623314Z","structure_string":"Rb2 Hf2 O5\n1.0\n4.055508 -0.000000 0.000000\n0.000000 4.055508 0.000000\n-0.000000 -0.000000 8.997743\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.278186 Hf\n0.500000 0.500000 0.721813 Hf\n0.500000 0.000000 0.234197 O\n0.500000 0.000000 0.765803 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.234197 O\n-0.000000 0.500000 0.765803 O\n","nsites":9,"nelements":3,"elements":["Rb","Hf","O"],"chemical_system":"Hf-O-Rb","density":6.8212840262676595,"density_atomic":0.06081607672860768,"volume":147.98718503599937,"volume_molar":9.90221843292171,"formula_full":"Rb2 Hf2 O5","formula_reduced":"Rb2Hf2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.4459192777777776,"spacegroup":123},{"id":"jvasp-37424","created_at":"2022-09-04T14:35:56.311583Z","updated_at":"2022-09-04T14:35:56.311609Z","structure_string":"Ta2 Be2 O5\n1.0\n3.532678 -0.000000 -0.000000\n0.000000 3.532678 -0.000000\n0.000000 0.000000 6.381108\nTa Be O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.747477 Be\n0.500000 0.500000 0.252524 Be\n0.000000 0.500000 0.796903 O\n0.000000 0.500000 0.203097 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.796903 O\n0.500000 0.000000 0.203097 O\n","nsites":9,"nelements":3,"elements":["Ta","Be","O"],"chemical_system":"Be-O-Ta","density":9.590129567693706,"density_atomic":0.11301557705192755,"volume":79.6350400074916,"volume_molar":5.328593559481621,"formula_full":"Ta2 Be2 O5","formula_reduced":"Ta2Be2O5","formula_anonymous":"A2B2C5","energy_above_hull":3.628829788888889,"spacegroup":123},{"id":"jvasp-90536","created_at":"2022-09-04T14:37:41.115116Z","updated_at":"2022-09-04T14:37:41.115128Z","structure_string":"Rb2 Hf2 O5\n1.0\n9.012296 0.000000 -0.000000\n-0.000000 4.056978 0.000000\n0.000000 0.000000 4.056978\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.000000 0.000000 Rb\n0.278523 0.500001 0.500001 Hf\n0.721479 0.500001 0.500001 Hf\n0.234576 0.500001 0.000000 O\n0.765425 0.500001 0.000000 O\n0.500001 0.500001 0.500001 O\n0.234576 0.000000 0.500001 O\n0.765425 0.000000 0.500001 O\n","nsites":9,"nelements":3,"elements":["Rb","Hf","O"],"chemical_system":"Hf-O-Rb","density":6.805334705382404,"density_atomic":0.06067387840949478,"volume":148.33401516313157,"volume_molar":9.925425764537254,"formula_full":"Rb2 Hf2 O5","formula_reduced":"Rb2Hf2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.447403722222222,"spacegroup":123},{"id":"jvasp-21778","created_at":"2022-09-04T14:37:48.709437Z","updated_at":"2022-09-04T14:37:48.709450Z","structure_string":"Tl8 Ge8 S20\n1.0\n8.617555 -0.011709 -1.829353\n-2.247122 10.477371 0.004180\n0.012512 0.016497 10.715617\nTl Ge S\n8 8 20\ndirect\n0.104477 0.460080 0.201603 Tl\n0.893086 0.926410 0.796328 Tl\n0.606915 0.203672 0.073591 Tl\n0.106915 0.073591 0.203673 Tl\n0.395523 0.798397 0.539920 Tl\n0.604478 0.201603 0.460081 Tl\n0.895523 0.539920 0.798397 Tl\n0.393085 0.796328 0.926410 Tl\n0.588240 0.520459 0.265405 Ge\n0.411760 0.479541 0.734596 Ge\n0.088240 0.265404 0.520459 Ge\n0.112173 0.270023 0.867084 Ge\n0.387827 0.132916 0.729977 Ge\n0.887828 0.729977 0.132916 Ge\n0.612173 0.867084 0.270023 Ge\n0.911761 0.734596 0.479542 Ge\n0.272691 0.466205 0.894054 S\n0.227309 0.105946 0.533796 S\n0.250000 0.462062 0.537939 S\n0.557202 0.326444 0.759548 S\n0.750000 0.537939 0.462062 S\n0.250000 0.109355 0.890646 S\n0.750001 0.890645 0.109355 S\n0.543193 0.999134 0.757051 S\n0.956808 0.242949 0.000866 S\n0.456808 0.000866 0.242950 S\n0.727310 0.533795 0.105946 S\n0.043192 0.757051 0.999134 S\n0.573441 0.665329 0.760335 S\n0.073441 0.760334 0.665329 S\n0.426559 0.334671 0.239666 S\n0.057202 0.759548 0.326444 S\n0.442799 0.673556 0.240452 S\n0.942799 0.240452 0.673557 S\n0.926560 0.239666 0.334672 S\n0.772691 0.894054 0.466205 S\n","nsites":36,"nelements":3,"elements":["Tl","Ge","S"],"chemical_system":"Ge-S-Tl","density":4.904202990761077,"density_atomic":0.03720811502383941,"volume":967.5308726855588,"volume_molar":16.185019735994654,"formula_full":"Tl8 Ge8 S20","formula_reduced":"Tl2Ge2S5","formula_anonymous":"A2B2C5","energy_above_hull":1.237719677777778,"spacegroup":15},{"id":"jvasp-37942","created_at":"2022-09-04T14:38:09.887129Z","updated_at":"2022-09-04T14:38:09.887151Z","structure_string":"Ba2 Pd2 O5\n1.0\n4.067015 -0.000000 0.000000\n0.000000 4.067015 -0.000000\n0.000000 0.000000 8.391484\nBa Pd O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500001 0.500001 0.251346 Pd\n0.500001 0.500001 0.748654 Pd\n0.500001 0.000000 0.219863 O\n0.500001 0.000000 0.780136 O\n0.500001 0.500001 0.500000 O\n0.000000 0.500001 0.219863 O\n0.000000 0.500001 0.780136 O\n","nsites":9,"nelements":3,"elements":["Ba","Pd","O"],"chemical_system":"Ba-O-Pd","density":6.789186775380853,"density_atomic":0.06484137119225296,"volume":138.8002726425269,"volume_molar":9.287497548663046,"formula_full":"Ba2 Pd2 O5","formula_reduced":"Ba2Pd2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.7790945377777776,"spacegroup":123},{"id":"jvasp-87994","created_at":"2022-09-04T14:35:43.231446Z","updated_at":"2022-09-04T14:35:43.231470Z","structure_string":"Li4 B4 S10\n1.0\n5.888942 -0.000000 -2.388021\n-0.000000 6.790204 -0.000000\n0.065839 -0.000000 8.617538\nLi B S\n4 4 10\ndirect\n0.770254 0.000000 0.540507 Li\n0.229746 0.500000 0.459493 Li\n0.229746 0.000000 0.459493 Li\n0.770254 0.500000 0.540507 Li\n0.552479 0.750000 0.826489 B\n0.725989 0.750000 0.173511 B\n0.447520 0.250000 0.173511 B\n0.274010 0.250000 0.826489 B\n0.705770 0.250000 0.131125 S\n0.574645 0.250000 0.868876 S\n0.294230 0.750000 0.868876 S\n0.425354 0.750000 0.131125 S\n0.919545 0.750000 0.388373 S\n0.468827 0.250000 0.388373 S\n0.531173 0.750000 0.611627 S\n0.822157 0.750000 -0.000000 S\n0.080455 0.250000 0.611627 S\n0.177842 0.250000 -0.000000 S\n","nsites":18,"nelements":3,"elements":["Li","B","S"],"chemical_system":"B-Li-S","density":1.881522293270617,"density_atomic":0.05207457979850995,"volume":345.65809401912924,"volume_molar":11.564453872313948,"formula_full":"Li4 B4 S10","formula_reduced":"Li2B2S5","formula_anonymous":"A2B2C5","energy_above_hull":2.515478351851852,"spacegroup":63},{"id":"jvasp-17901","created_at":"2022-09-04T14:36:53.109047Z","updated_at":"2022-09-04T14:36:53.109072Z","structure_string":"Se2 Cl2 O5\n1.0\n3.639838 -0.000000 -0.588558\n-0.095169 3.638594 -0.588558\n-0.152333 -0.156369 10.607190\nSe Cl O\n2 2 5\ndirect\n0.087565 0.087565 0.175128 Se\n0.912436 0.912434 0.824871 Se\n0.208011 0.208011 0.416021 Cl\n0.791989 0.791988 0.583978 Cl\n0.399965 0.899964 0.799928 O\n0.899966 0.399964 0.799928 O\n0.600036 0.100035 0.200071 O\n0.100035 0.600035 0.200071 O\n0.000000 0.000000 0.000000 O\n","nsites":9,"nelements":3,"elements":["Se","Cl","O"],"chemical_system":"Cl-O-Se","density":3.667911785778691,"density_atomic":0.06437283806313021,"volume":139.81052056728853,"volume_molar":9.355095939834296,"formula_full":"Se2 Cl2 O5","formula_reduced":"Se2Cl2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.9840235964814812,"spacegroup":139},{"id":"jvasp-57799","created_at":"2022-09-04T14:38:00.844343Z","updated_at":"2022-09-04T14:38:00.844366Z","structure_string":"Mg4 B4 O10\n1.0\n3.125719 -0.009671 0.009465\n-0.221524 6.188832 0.016821\n-0.061424 -2.313445 8.964685\nMg B O\n4 4 10\ndirect\n0.231771 0.209682 0.854521 Mg\n0.768232 0.790318 0.145479 Mg\n0.733708 0.373076 0.602773 Mg\n0.266295 0.626925 0.397227 Mg\n0.800110 0.317566 0.143049 B\n0.199893 0.682435 0.856951 B\n0.835150 0.879814 0.668557 B\n0.164853 0.120186 0.331443 B\n0.728998 0.274148 0.994870 O\n0.271005 0.725852 0.005130 O\n0.062872 0.861805 0.799447 O\n0.937131 0.138196 0.200553 O\n0.278080 0.906830 0.320257 O\n0.235596 0.304094 0.446824 O\n0.721923 0.093170 0.679743 O\n0.758460 0.521961 0.241184 O\n0.764407 0.695907 0.553176 O\n0.241543 0.478039 0.758816 O\n","nsites":18,"nelements":3,"elements":["Mg","B","O"],"chemical_system":"B-Mg-O","density":2.8751572104196037,"density_atomic":0.1037292486193306,"volume":173.52868394966458,"volume_molar":5.8056342257912945,"formula_full":"Mg4 B4 O10","formula_reduced":"Mg2B2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.2202089740740742,"spacegroup":2},{"id":"jvasp-90114","created_at":"2022-09-04T14:35:42.747144Z","updated_at":"2022-09-04T14:35:42.747170Z","structure_string":"Zn2 Ga2 S5\n1.0\n-3.193072 1.843521 -0.000000\n0.000000 3.687041 -0.000000\n-1.064358 1.843521 -15.135933\nZn Ga S\n2 2 5\ndirect\n0.866289 0.866289 0.401130 Zn\n0.133711 0.133710 0.598869 Zn\n0.724023 0.724022 0.827932 Ga\n0.275977 0.275977 0.172068 Ga\n0.500000 0.500000 0.500000 S\n0.772735 0.772734 0.681795 S\n0.227265 0.227265 0.318205 S\n0.631898 0.631898 0.104304 S\n0.368102 0.368101 0.895695 S\n","nsites":9,"nelements":3,"elements":["Zn","Ga","S"],"chemical_system":"Ga-S-Zn","density":4.012510236107099,"density_atomic":0.05050642563097404,"volume":178.195148192799,"volume_molar":11.923514057401055,"formula_full":"Zn2 Ga2 S5","formula_reduced":"Zn2Ga2S5","formula_anonymous":"A2B2C5","energy_above_hull":0.6374317166666668,"spacegroup":166},{"id":"jvasp-20967","created_at":"2022-09-04T14:38:34.620095Z","updated_at":"2022-09-04T14:38:34.620110Z","structure_string":"Li4 Si4 O10\n1.0\n4.817435 -0.000329 0.000130\n0.000430 5.412220 -2.148644\n-0.000214 0.011504 7.919721\nLi Si O\n4 4 10\ndirect\n0.596818 0.705366 0.113925 Li\n0.096818 0.591442 0.886076 Li\n0.096818 0.402179 0.113923 Li\n0.596819 0.288257 0.886077 Li\n0.094384 0.005783 0.705029 Si\n0.094383 0.987838 0.294971 Si\n0.594384 0.300754 0.294970 Si\n0.594384 0.692868 0.705030 Si\n0.534822 0.496810 0.500001 O\n0.931268 0.763790 0.726380 O\n0.431267 0.037411 0.273620 O\n0.431267 0.956210 0.726380 O\n0.931267 0.229831 0.273620 O\n-0.003376 0.735338 0.141470 O\n-0.003376 0.258283 0.858529 O\n0.496624 0.399755 0.141471 O\n0.496625 0.593869 0.858531 O\n0.034821 0.996809 0.499999 O\n","nsites":18,"nelements":3,"elements":["Li","Si","O"],"chemical_system":"Li-O-Si","density":2.4119235058526303,"density_atomic":0.08712061695204971,"volume":206.61010711054783,"volume_molar":6.912417485879977,"formula_full":"Li4 Si4 O10","formula_reduced":"Li2Si2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.281937188888889,"spacegroup":37},{"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}]}