{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=606","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=604","results":[{"id":"jvasp-95639","created_at":"2022-09-04T14:36:34.344531Z","updated_at":"2022-09-04T14:36:34.344548Z","structure_string":"Na10 Ta2 O10\n1.0\n5.941800 0.015872 -0.910814\n-2.878559 5.197994 -0.910814\n0.001076 0.001830 10.067998\nNa Ta O\n10 2 10\ndirect\n0.990923 0.675645 0.920962 Na\n0.009077 0.324354 0.079039 Na\n0.675645 0.990922 0.420962 Na\n0.331035 0.668964 0.750000 Na\n0.668965 0.331034 0.250000 Na\n0.554703 0.785361 0.048936 Na\n0.214639 0.445297 0.451065 Na\n0.445297 0.214638 0.951065 Na\n0.785361 0.554702 0.548936 Na\n0.324355 0.009077 0.579039 Na\n0.908249 0.091751 0.750001 Ta\n0.091751 0.908248 0.250000 Ta\n0.697648 0.037868 0.882598 O\n0.962132 0.302352 0.617403 O\n0.596014 0.809935 0.604645 O\n0.190064 0.403985 0.895356 O\n0.403986 0.190064 0.395356 O\n0.809936 0.596013 0.104645 O\n0.302352 0.962131 0.117403 O\n0.037868 0.697647 0.382598 O\n0.094824 0.905176 0.750000 O\n0.905176 0.094823 0.250000 O\n","nsites":22,"nelements":3,"elements":["Na","Ta","O"],"chemical_system":"Na-O-Ta","density":4.008461252719012,"density_atomic":0.07064089615927177,"volume":311.434327650619,"volume_molar":8.525006175490853,"formula_full":"Na10 Ta2 O10","formula_reduced":"Na5TaO5","formula_anonymous":"AB5C5","energy_above_hull":1.4753801545454548,"spacegroup":15},{"id":"jvasp-104502","created_at":"2022-09-04T14:37:06.272291Z","updated_at":"2022-09-04T14:37:06.272328Z","structure_string":"K2 Na1 Ce1 Cl6\n1.0\n6.588984 -0.000000 3.804151\n2.196328 6.212153 3.804151\n-0.000000 -0.000000 7.608303\nK Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747227 0.252772 0.252773 Cl\n0.252773 0.252772 0.747227 Cl\n0.252773 0.747227 0.747227 Cl\n0.252773 0.747227 0.252772 Cl\n0.747227 0.252772 0.747227 Cl\n0.747227 0.747227 0.252772 Cl\n","nsites":10,"nelements":4,"elements":["K","Na","Ce","Cl"],"chemical_system":"Ce-Cl-K-Na","density":2.4208954745711795,"density_atomic":0.0321108353382308,"volume":311.42135963352257,"volume_molar":18.75423263383655,"formula_full":"K2 Na1 Ce1 Cl6","formula_reduced":"K2NaCeCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-44445","created_at":"2022-09-04T14:36:54.870233Z","updated_at":"2022-09-04T14:36:54.870245Z","structure_string":"Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n","nsites":28,"nelements":4,"elements":["Li","Nb","Cr","O"],"chemical_system":"Cr-Li-Nb-O","density":4.603646264538084,"density_atomic":0.08991181880999717,"volume":311.4162339343837,"volume_molar":6.697829984649811,"formula_full":"Li4 Nb4 Cr4 O16","formula_reduced":"LiNbCrO4","formula_anonymous":"ABCD4","energy_above_hull":3.0323258285714294,"spacegroup":95},{"id":"jvasp-19082","created_at":"2022-09-04T14:36:55.097109Z","updated_at":"2022-09-04T14:36:55.097124Z","structure_string":"Ba3 Ti6 O15\n1.0\n3.916574 0.000000 0.000000\n-1.958287 8.302396 -1.917749\n0.000000 -0.003330 9.577577\nBa Ti O\n3 6 15\ndirect\n0.369246 0.738493 0.016678 Ba\n0.500000 -0.000000 0.500000 Ba\n0.630753 0.261507 0.983322 Ba\n0.038579 0.077158 0.209715 Ti\n0.961420 0.922843 0.790286 Ti\n0.205902 0.411805 0.373319 Ti\n0.794096 0.588195 0.626681 Ti\n0.832975 0.665953 0.304059 Ti\n0.167023 0.334048 0.695941 Ti\n0.847431 0.694865 0.814041 O\n0.152568 0.305135 0.185959 O\n0.892369 0.784741 0.574241 O\n0.000000 0.000000 0.000000 O\n0.534737 0.069475 0.208800 O\n0.675135 0.350272 0.661196 O\n0.324863 0.649728 0.338804 O\n0.734984 0.469970 0.399462 O\n0.265015 0.530031 0.600539 O\n0.788322 0.576647 0.121837 O\n0.211676 0.423354 0.878163 O\n0.941723 0.883449 0.287751 O\n0.058276 0.116552 0.712249 O\n0.465262 0.930526 0.791200 O\n0.107629 0.215260 0.425759 O\n","nsites":24,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.008003294010976,"density_atomic":0.07706917126794405,"volume":311.4085646069805,"volume_molar":7.813942541386629,"formula_full":"Ba3 Ti6 O15","formula_reduced":"BaTi2O5","formula_anonymous":"AB2C5","energy_above_hull":2.417871267083333,"spacegroup":12},{"id":"jvasp-104683","created_at":"2022-09-04T14:36:44.373571Z","updated_at":"2022-09-04T14:36:44.373600Z","structure_string":"Th1 Pb1 I6\n1.0\n7.338751 0.107199 0.000000\n-6.067850 4.129159 0.000000\n-0.000000 -0.000000 10.058991\nTh Pb I\n1 1 6\ndirect\n0.237195 0.762806 0.500000 Th\n0.764285 0.235715 -0.000000 Pb\n0.143330 0.856671 0.797754 I\n0.853632 0.146369 0.677043 I\n0.143330 0.856671 0.202246 I\n0.853632 0.146369 0.322957 I\n0.427019 0.572982 -0.000000 I\n0.575479 0.424521 0.500000 I\n","nsites":8,"nelements":3,"elements":["Th","Pb","I"],"chemical_system":"I-Pb-Th","density":6.403376040038904,"density_atomic":0.025693785173862595,"volume":311.35934023991626,"volume_molar":23.43812217331885,"formula_full":"Th1 Pb1 I6","formula_reduced":"ThPbI6","formula_anonymous":"ABC6","energy_above_hull":0.11862550875,"spacegroup":38},{"id":"jvasp-117055","created_at":"2022-09-04T14:38:46.209753Z","updated_at":"2022-09-04T14:38:46.209767Z","structure_string":"Lu3 Mg2 Cr1 S8\n1.0\n6.620200 -0.000299 3.824167\n2.205939 6.150397 3.822787\n-0.000876 -0.000506 7.645484\nLu Mg Cr S\n3 2 1 8\ndirect\n0.500014 0.499992 0.499993 Lu\n0.500008 0.500000 -0.000000 Lu\n-0.000002 0.500007 0.500013 Lu\n0.874724 0.875857 0.874714 Mg\n0.125283 0.124139 0.125289 Mg\n0.499983 0.000000 0.499996 Cr\n0.731903 0.763823 0.731905 S\n0.268013 0.236256 0.727626 S\n0.255658 0.733157 0.255642 S\n0.727620 0.236242 0.268020 S\n0.744352 0.266840 0.744359 S\n0.272384 0.763728 0.731982 S\n0.268069 0.236214 0.268090 S\n0.731994 0.763737 0.272376 S\n","nsites":14,"nelements":4,"elements":["Lu","Mg","Cr","S"],"chemical_system":"Cr-Lu-Mg-S","density":4.7043984115954425,"density_atomic":0.044967744426167904,"volume":311.3342725692293,"volume_molar":13.392134377315042,"formula_full":"Lu3 Mg2 Cr1 S8","formula_reduced":"Lu3Mg2CrS8","formula_anonymous":"AB2C3D8","energy_above_hull":1.8378930535714293,"spacegroup":166},{"id":"jvasp-59535","created_at":"2022-09-04T14:36:30.522695Z","updated_at":"2022-09-04T14:36:30.522717Z","structure_string":"Pr6 F18\n1.0\n3.552933 -6.153861 0.000000\n3.552933 6.153861 -0.000000\n-0.000000 -0.000000 7.118976\nPr F\n6 18\ndirect\n0.326704 0.326704 0.250000 Pr\n0.326704 -0.000000 0.750000 Pr\n-0.000000 0.326704 0.750000 Pr\n-0.000000 0.673295 0.250000 Pr\n0.673295 -0.000000 0.250000 Pr\n0.673295 0.673295 0.750000 Pr\n0.343440 -0.000000 0.415172 F\n0.656560 -0.000000 0.915172 F\n-0.000000 0.343440 0.084828 F\n0.343440 0.343440 0.915172 F\n-0.000000 0.656560 0.915172 F\n0.343440 0.343440 0.584828 F\n0.656560 -0.000000 0.584828 F\n0.343440 -0.000000 0.084828 F\n0.333333 0.666666 0.750000 F\n-0.000000 0.656560 0.584828 F\n-0.000000 0.343440 0.415172 F\n0.666666 0.333333 0.250000 F\n0.666666 0.333333 0.750000 F\n0.333333 0.666666 0.250000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.656559 0.656559 0.084828 F\n0.656559 0.656559 0.415172 F\n","nsites":24,"nelements":2,"elements":["Pr","F"],"chemical_system":"F-Pr","density":6.33388527470841,"density_atomic":0.0770954978058678,"volume":311.3022249422889,"volume_molar":7.811274239598528,"formula_full":"Pr6 F18","formula_reduced":"PrF3","formula_anonymous":"AB3","energy_above_hull":0.0387975,"spacegroup":193},{"id":"jvasp-109846","created_at":"2022-09-04T14:38:19.537326Z","updated_at":"2022-09-04T14:38:19.537347Z","structure_string":"K2 Nd1 Ag1 Cl6\n1.0\n6.588127 -0.000000 3.803657\n2.196042 6.211346 3.803657\n-0.000000 -0.000000 7.607314\nK Nd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.751267 0.248733 0.248733 Cl\n0.248733 0.248733 0.751266 Cl\n0.248733 0.751267 0.751267 Cl\n0.248733 0.751267 0.248734 Cl\n0.751267 0.248733 0.751266 Cl\n0.751267 0.751267 0.248734 Cl\n","nsites":10,"nelements":4,"elements":["K","Nd","Ag","Cl"],"chemical_system":"Ag-Cl-K-Nd","density":2.8966080586048664,"density_atomic":0.032123360593286035,"volume":311.2999329867765,"volume_molar":18.746920150249355,"formula_full":"K2 Nd1 Ag1 Cl6","formula_reduced":"K2NdAgCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-87030","created_at":"2022-09-04T14:36:04.662687Z","updated_at":"2022-09-04T14:36:04.662731Z","structure_string":"Rb2 Mo6 S6\n1.0\n8.990814 -0.000001 0.000000\n-4.495407 7.786274 -0.000000\n0.000000 0.000000 4.446608\nRb Mo S\n2 6 6\ndirect\n0.333332 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.970732 0.816492 0.250000 Mo\n0.845760 0.029268 0.250000 Mo\n0.154239 0.970732 0.750000 Mo\n0.029267 0.183507 0.750000 Mo\n0.183507 0.154240 0.250000 Mo\n0.816492 0.845760 0.750000 Mo\n0.942376 0.652963 0.750000 S\n0.057623 0.347036 0.250000 S\n0.289413 0.942377 0.250000 S\n0.652963 0.710586 0.250000 S\n0.347036 0.289413 0.750000 S\n0.710586 0.057623 0.750000 S\n","nsites":14,"nelements":3,"elements":["Rb","Mo","S"],"chemical_system":"Mo-Rb-S","density":5.0088873715244535,"density_atomic":0.044974932774771624,"volume":311.2845119771519,"volume_molar":13.38999391095939,"formula_full":"Rb2 Mo6 S6","formula_reduced":"Rb(MoS)3","formula_anonymous":"AB3C3","energy_above_hull":3.5746753857142863,"spacegroup":176},{"id":"jvasp-48601","created_at":"2022-09-04T14:36:30.761148Z","updated_at":"2022-09-04T14:36:30.761164Z","structure_string":"Na5 Mn7 O16\n1.0\n0.000000 6.097369 0.110245\n5.915929 0.000000 0.000000\n0.000000 -0.453490 -8.637609\nNa Mn O\n5 7 16\ndirect\n0.244106 0.000000 0.872439 Na\n0.222222 0.500000 0.620873 Na\n0.000000 0.000000 0.500000 Na\n0.777778 0.500000 0.379126 Na\n0.755894 0.000000 0.127561 Na\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.270981 0.752583 0.244605 Mn\n0.270981 0.247417 0.244605 Mn\n0.729020 0.752583 0.755394 Mn\n0.729020 0.247417 0.755394 Mn\n0.500000 0.000000 0.500000 Mn\n0.081440 0.000000 0.227778 O\n0.254188 0.293523 0.014231 O\n0.254188 0.706477 0.014231 O\n0.481862 0.500000 0.222719 O\n0.059525 0.500000 0.224425 O\n0.485888 0.000000 0.273511 O\n0.285720 0.768558 0.456529 O\n0.940475 0.500000 0.775575 O\n0.714280 0.231442 0.543471 O\n0.714280 0.768558 0.543471 O\n0.918560 0.000000 0.772221 O\n0.514112 0.000000 0.726488 O\n0.745812 0.293523 0.985768 O\n0.518138 0.500000 0.777281 O\n0.285720 0.231442 0.456529 O\n0.745812 0.706477 0.985768 O\n","nsites":28,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.0303266838414915,"density_atomic":0.08995214379945693,"volume":311.2766279636911,"volume_molar":6.6948273889125,"formula_full":"Na5 Mn7 O16","formula_reduced":"Na5Mn7O16","formula_anonymous":"A5B7C16","energy_above_hull":2.898310774630541,"spacegroup":10},{"id":"jvasp-46447","created_at":"2022-09-04T14:38:06.692272Z","updated_at":"2022-09-04T14:38:06.692297Z","structure_string":"Na4 V2 B2 P2 O14\n1.0\n0.000000 5.388947 -0.025106\n6.372298 0.000000 0.000000\n0.000000 -0.400814 -9.062595\nNa V B P O\n4 2 2 2 14\ndirect\n0.766774 -0.001218 0.221207 Na\n0.766774 0.501218 0.221207 Na\n0.233227 0.498783 0.778793 Na\n0.233227 0.001218 0.778793 Na\n0.219954 0.250000 0.335332 V\n0.780047 0.750000 0.664667 V\n0.284735 0.250000 0.076459 B\n0.715266 0.750000 0.923541 B\n0.277226 0.750000 0.438733 P\n0.722775 0.250000 0.561267 P\n0.532872 0.750000 0.802094 O\n0.797514 0.054362 0.655112 O\n0.797514 0.445638 0.655112 O\n0.130448 0.750000 0.580686 O\n0.438602 0.250000 0.526820 O\n0.561399 0.750000 0.473180 O\n0.053597 0.250000 0.148386 O\n0.202488 0.554363 0.344888 O\n0.202488 0.945638 0.344888 O\n0.467129 0.250000 0.197906 O\n0.946404 0.750000 0.851614 O\n0.674346 0.750000 0.063840 O\n0.869553 0.250000 0.419314 O\n0.325655 0.250000 0.936160 O\n","nsites":24,"nelements":5,"elements":["Na","V","B","P","O"],"chemical_system":"B-Na-O-P-V","density":2.674817540831941,"density_atomic":0.07710263217048026,"volume":311.2734199130067,"volume_molar":7.810551456511306,"formula_full":"Na4 V2 B2 P2 O14","formula_reduced":"Na2VBPO7","formula_anonymous":"ABCD2E7","energy_above_hull":2.578052898611111,"spacegroup":11},{"id":"jvasp-42255","created_at":"2022-09-04T14:36:16.680649Z","updated_at":"2022-09-04T14:36:16.680659Z","structure_string":"Li4 Ti3 V3 Te2 O16\n1.0\n5.898339 -0.001237 0.002342\n-2.948152 5.164796 0.016094\n-0.004259 0.020967 10.218654\nLi Ti V Te O\n4 3 3 2 16\ndirect\n0.334506 0.669027 0.098114 Li\n0.999443 0.998885 0.011720 Li\n-0.000401 -0.000767 0.507093 Li\n0.663396 0.326827 0.602181 Li\n0.162821 0.816685 0.779360 Ti\n0.653851 0.816691 0.779361 Ti\n0.824896 0.649817 0.273698 Ti\n0.352902 0.173150 0.283272 V\n0.820218 0.173150 0.283275 V\n0.174564 0.349141 0.787949 V\n0.330104 0.660239 0.492207 Te\n0.660263 0.320529 -0.000629 Te\n0.846971 0.693959 0.896959 O\n0.316970 0.154830 0.901457 O\n0.672078 0.344184 0.396058 O\n0.981852 0.497806 0.170346 O\n0.515931 0.497794 0.170335 O\n0.158476 0.316980 0.396387 O\n0.498142 0.512550 0.675251 O\n0.486210 0.972435 0.675136 O\n0.675663 0.839006 0.397770 O\n0.000452 0.000941 0.193813 O\n0.000706 0.001423 0.689833 O\n0.339304 0.678625 0.895261 O\n0.514846 0.029724 0.161453 O\n0.163308 0.839013 0.397774 O\n0.014381 0.512544 0.675254 O\n0.837854 0.154826 0.901458 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","V","Te","O"],"chemical_system":"Li-O-Te-Ti-V","density":4.456679705494185,"density_atomic":0.08995728416543114,"volume":311.25884090173395,"volume_molar":6.694444831088169,"formula_full":"Li4 Ti3 V3 Te2 O16","formula_reduced":"Li4Ti3V3(TeO8)2","formula_anonymous":"A2B3C3D4E16","energy_above_hull":3.019256754761905,"spacegroup":8}]}