{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4581","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4579","results":[{"id":"jvasp-9239","created_at":"2022-09-04T14:37:26.982697Z","updated_at":"2022-09-04T14:37:26.982725Z","structure_string":"Sr2 Y1 Ti2 Tl1 O7\n1.0\n3.891283 0.000000 0.000000\n0.000000 3.891283 0.000000\n0.000000 -0.000000 12.757099\nSr Y Ti Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.813402 Sr\n0.500000 0.500000 0.186571 Sr\n0.500000 0.500000 0.500003 Y\n0.000000 0.000000 0.638554 Ti\n0.000000 0.000000 0.361453 Ti\n0.000000 0.000000 0.999994 Tl\n0.500000 0.000000 0.614783 O\n0.000000 0.500000 0.614783 O\n0.500000 0.000000 0.385231 O\n0.000000 0.500000 0.385231 O\n0.000000 0.000000 0.787065 O\n0.000000 0.000000 0.212943 O\n0.500000 0.500000 0.999985 O\n","nsites":13,"nelements":5,"elements":["Sr","Y","Ti","Tl","O"],"chemical_system":"O-Sr-Ti-Tl-Y","density":5.813324473827207,"density_atomic":0.06729856330943969,"volume":193.1690568225926,"volume_molar":8.94839423586224,"formula_full":"Sr2 Y1 Ti2 Tl1 O7","formula_reduced":"Sr2YTi2TlO7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.203088602820513,"spacegroup":123},{"id":"jvasp-9461","created_at":"2022-09-04T14:37:27.159392Z","updated_at":"2022-09-04T14:37:27.159413Z","structure_string":"Ba2 Y1 Tl1 Cr2 O7\n1.0\n3.904880 -0.000000 -0.000000\n-0.000000 3.904880 -0.000000\n0.000000 0.000000 13.017152\nBa Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198991 Ba\n0.500000 0.500000 0.801008 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.362322 Cr\n0.000000 0.000000 0.637677 Cr\n0.000000 0.000000 0.218229 O\n0.000000 0.500000 0.391605 O\n0.500000 0.000000 0.391605 O\n0.500000 0.000000 0.608395 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.608395 O\n0.000000 0.000000 0.781771 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","Cr","O"],"chemical_system":"Ba-Cr-O-Tl-Y","density":6.558366139007431,"density_atomic":0.06549557990632215,"volume":198.4866767893926,"volume_molar":9.194728512387284,"formula_full":"Ba2 Y1 Tl1 Cr2 O7","formula_reduced":"Ba2YTlCr2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.479133791538461,"spacegroup":123},{"id":"jvasp-28537","created_at":"2022-09-04T14:37:33.168665Z","updated_at":"2022-09-04T14:37:33.168674Z","structure_string":"Te2 Mo1 W2 Se2 S2\n1.0\n3.354611 0.000000 0.000000\n-1.677305 2.904995 -0.001812\n0.000000 -0.019128 26.435489\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.666963 0.333924 0.523646 Te\n0.667289 0.334579 0.668011 Te\n0.332073 0.664145 0.103242 Mo\n0.333789 0.667577 0.595914 W\n0.667519 0.335037 0.341817 W\n0.664574 0.329146 0.040338 Se\n0.666216 0.332431 0.166197 Se\n0.334311 0.668622 0.399418 S\n0.333865 0.667729 0.284258 S\n","nsites":9,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":6.064625815824116,"density_atomic":0.03493556739934264,"volume":257.61711258679446,"volume_molar":17.23785015758271,"formula_full":"Te2 Mo1 W2 Se2 S2","formula_reduced":"Te2MoW2(SeS)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":3.9288420185185178,"spacegroup":156},{"id":"jvasp-43935","created_at":"2022-09-04T14:37:09.178368Z","updated_at":"2022-09-04T14:37:09.178395Z","structure_string":"Li4 Mn3 V3 Sn2 O16\n1.0\n5.838458 -0.043435 0.029391\n-2.881680 5.150079 0.087854\n-0.049440 -0.094436 9.725242\nLi Mn V Sn O\n4 3 3 2 16\ndirect\n0.667146 0.334277 0.894449 Li\n0.000579 0.001281 0.994528 Li\n-0.002691 -0.005409 0.492682 Li\n0.331967 0.663972 0.398563 Li\n0.835117 0.670307 0.215305 Mn\n0.168880 0.829129 0.714855 Mn\n0.660296 0.829137 0.714862 Mn\n0.821484 0.171592 0.214415 V\n0.167754 0.335457 0.716748 V\n0.350035 0.171590 0.214417 V\n0.666531 0.333047 0.493356 Sn\n0.333539 0.667135 0.991604 Sn\n0.158915 0.317914 0.099290 O\n0.164371 0.845140 0.100329 O\n0.333925 0.667797 0.610532 O\n0.487136 0.519483 0.833384 O\n0.032353 0.519471 0.833375 O\n0.839901 0.679754 0.601596 O\n0.967049 0.480818 0.335395 O\n0.513448 0.026958 0.342356 O\n0.838105 0.151918 0.602455 O\n0.996482 0.992915 0.809136 O\n0.003202 0.006488 0.307108 O\n0.672111 0.344313 0.103327 O\n0.483825 0.967639 0.835573 O\n0.313847 0.151911 0.602455 O\n0.513717 0.480816 0.335402 O\n0.680680 0.845154 0.100340 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","V","Sn","O"],"chemical_system":"Li-Mn-O-Sn-V","density":4.7820906419026254,"density_atomic":0.09613058093594332,"volume":291.2704752991956,"volume_molar":6.2645421481566395,"formula_full":"Li4 Mn3 V3 Sn2 O16","formula_reduced":"Li4Mn3V3(SnO8)2","formula_anonymous":"A2B3C3D4E16","energy_above_hull":3.0388944187192117,"spacegroup":8},{"id":"jvasp-85779","created_at":"2022-09-04T14:36:20.803831Z","updated_at":"2022-09-04T14:36:20.803859Z","structure_string":"Tl2 Cu2 H2 S2 O10\n1.0\n8.842240 0.000000 -0.886728\n0.000000 5.877755 0.000000\n-0.033881 0.000000 4.516345\nTl Cu H S O\n2 2 2 2 10\ndirect\n0.604870 0.250000 0.886481 Tl\n0.395130 0.749999 0.113520 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.892893 0.250000 0.589183 H\n0.107107 0.749999 0.410817 H\n0.227325 0.250000 0.510706 S\n0.772675 0.749999 0.489295 S\n0.641148 0.749999 0.660799 O\n0.358852 0.250000 0.339202 O\n0.220529 0.041262 0.689753 O\n0.779471 0.541261 0.310247 O\n0.891026 0.250000 0.807004 O\n0.220529 0.458738 0.689753 O\n0.108975 0.749999 0.192997 O\n0.078953 0.250000 0.291743 O\n0.779471 0.958737 0.310247 O\n0.921047 0.749999 0.708258 O\n","nsites":18,"nelements":5,"elements":["Tl","Cu","H","S","O"],"chemical_system":"Cu-H-O-S-Tl","density":5.394723144883549,"density_atomic":0.07674294556558987,"volume":234.54924576247785,"volume_molar":7.847158739630418,"formula_full":"Tl2 Cu2 H2 S2 O10","formula_reduced":"TlCuHSO5","formula_anonymous":"ABCDE5","energy_above_hull":1.904603394444444,"spacegroup":11},{"id":"jvasp-96924","created_at":"2022-09-04T14:36:16.262879Z","updated_at":"2022-09-04T14:36:16.262905Z","structure_string":"Na4 Ni2 H16 S4 O24\n1.0\n5.388453 0.000000 -0.915951\n0.000000 8.097132 0.000000\n-0.005379 0.000000 11.006291\nNa Ni H S O\n4 2 16 4 24\ndirect\n0.878946 0.924315 0.636495 Na\n0.121053 0.424315 0.863505 Na\n0.121053 0.075685 0.363505 Na\n0.878946 0.575685 0.136495 Na\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.769327 0.556741 0.679981 H\n0.769327 0.943259 0.179981 H\n0.230672 0.443259 0.320019 H\n0.215363 0.859425 0.842286 H\n0.784636 0.359425 0.657714 H\n0.784636 0.140575 0.157714 H\n0.674158 0.192487 0.862459 H\n0.325842 0.692487 0.637541 H\n0.230672 0.056741 0.820019 H\n0.674158 0.307513 0.362459 H\n0.325842 0.807513 0.137541 H\n0.235766 0.778096 0.510806 H\n0.764233 0.278096 0.989194 H\n0.215363 0.640575 0.342286 H\n0.764233 0.221904 0.489194 H\n0.235766 0.721904 0.010806 H\n0.619186 0.714383 0.863606 S\n0.380813 0.214384 0.636394 S\n0.380813 0.285616 0.136394 S\n0.619186 0.785616 0.363606 S\n0.353865 0.672469 0.870256 O\n0.637944 0.730368 0.729583 O\n0.362055 0.230368 0.770417 O\n0.362055 0.269632 0.270417 O\n0.637944 0.769632 0.229583 O\n0.785709 0.583684 0.920634 O\n0.214290 0.083684 0.579366 O\n0.214290 0.416316 0.079366 O\n0.785710 0.916316 0.420634 O\n0.673435 0.874983 0.927780 O\n0.326564 0.374983 0.572220 O\n0.173224 0.785324 0.076728 O\n0.826776 0.285324 0.423272 O\n0.826776 0.214676 0.923272 O\n0.173224 0.714676 0.576728 O\n0.117465 0.535625 0.334927 O\n0.882534 0.035625 0.165073 O\n0.882534 0.464375 0.665073 O\n0.117465 0.964375 0.834927 O\n0.353865 0.827530 0.370256 O\n0.326564 0.125017 0.072220 O\n0.646134 0.172469 0.629744 O\n0.673435 0.625017 0.427780 O\n0.646134 0.327531 0.129744 O\n","nsites":50,"nelements":5,"elements":["Na","Ni","H","S","O"],"chemical_system":"H-Na-Ni-O-S","density":2.551170902865753,"density_atomic":0.10412853906094965,"volume":480.1757563383604,"volume_molar":5.783371988418137,"formula_full":"Na4 Ni2 H16 S4 O24","formula_reduced":"Na2NiH8(SO6)2","formula_anonymous":"AB2C2D8E12","energy_above_hull":2.6515004960000006,"spacegroup":14},{"id":"jvasp-99453","created_at":"2022-09-04T14:36:35.510422Z","updated_at":"2022-09-04T14:36:35.510443Z","structure_string":"Ba1 Sr1 Bi1 Sb1 O6\n1.0\n5.249682 -0.007112 2.898626\n1.707395 4.964274 2.898626\n-0.009981 -0.007112 5.996757\nBa Sr Bi Sb O\n1 1 1 1 6\ndirect\n0.749560 0.749561 0.749563 Ba\n0.261868 0.261868 0.261868 Sr\n0.000908 0.000908 0.000908 Bi\n0.500577 0.500577 0.500578 Sb\n0.812326 0.276491 0.646551 O\n0.276490 0.646550 0.812328 O\n0.646549 0.812326 0.276492 O\n0.206029 0.717078 0.328613 O\n0.717077 0.328611 0.206031 O\n0.328611 0.206030 0.717079 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Bi","Sb","O"],"chemical_system":"Ba-Bi-O-Sb-Sr","density":6.911568200151691,"density_atomic":0.06386906746498403,"volume":156.57031481604866,"volume_molar":9.428884746597586,"formula_full":"Ba1 Sr1 Bi1 Sb1 O6","formula_reduced":"BaSrBiSbO6","formula_anonymous":"ABCDE6","energy_above_hull":1.713613368,"spacegroup":146},{"id":"jvasp-48240","created_at":"2022-09-04T14:36:17.692197Z","updated_at":"2022-09-04T14:36:17.692221Z","structure_string":"Li1 V1 P3 H1 O10\n1.0\n4.659379 4.386331 0.094946\n-4.659379 4.386331 -0.094946\n-2.564361 0.000000 5.695354\nLi V P H O\n1 1 3 1 10\ndirect\n0.179685 0.179685 0.500000 Li\n0.655270 0.655270 -0.000000 V\n0.189225 0.548074 0.098343 P\n0.559890 0.559890 0.500000 P\n0.548074 0.189225 0.901656 P\n0.229971 0.229971 0.000000 H\n0.330886 0.652540 0.941731 O\n0.655216 0.968957 0.974625 O\n0.592943 0.705441 0.655588 O\n0.305180 0.581109 0.356960 O\n0.293559 0.184985 0.848292 O\n0.184985 0.293559 0.151707 O\n0.581109 0.305180 0.643039 O\n0.705441 0.592943 0.344411 O\n0.968957 0.655216 0.025374 O\n0.652540 0.330886 0.058269 O\n","nsites":16,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.203872842547956,"density_atomic":0.06810411162007532,"volume":234.9344205421456,"volume_molar":8.842550936711477,"formula_full":"Li1 V1 P3 H1 O10","formula_reduced":"LiVP3HO10","formula_anonymous":"ABCD3E10","energy_above_hull":3.03880973125,"spacegroup":5},{"id":"jvasp-91455","created_at":"2022-09-04T14:36:21.177444Z","updated_at":"2022-09-04T14:36:21.177469Z","structure_string":"Ba2 Nd2 Ti2 Cu2 O11\n1.0\n3.934199 0.000000 -0.000000\n-0.000000 3.934199 0.000000\n-0.000000 -0.000000 15.930255\nBa Nd Ti Cu O\n2 2 2 2 11\ndirect\n0.500000 0.500000 0.233793 Ba\n0.500000 0.500000 0.766206 Ba\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.626034 Ti\n0.000000 0.000000 0.373966 Ti\n0.000000 0.000000 0.106861 Cu\n0.000000 0.000000 0.893138 Cu\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.742831 O\n0.000000 0.000000 0.257169 O\n0.000000 0.500000 0.387102 O\n0.000000 0.500000 0.612898 O\n0.000000 0.500000 0.096104 O\n0.500000 0.000000 0.903895 O\n0.500000 0.000000 0.387102 O\n0.500000 0.000000 0.612898 O\n0.500000 0.000000 0.096104 O\n0.000000 0.500000 0.903895 O\n","nsites":19,"nelements":5,"elements":["Ba","Nd","Ti","Cu","O"],"chemical_system":"Ba-Cu-Nd-O-Ti","density":6.478426893305541,"density_atomic":0.0770580874681581,"volume":246.5672406916557,"volume_molar":7.81506647499974,"formula_full":"Ba2 Nd2 Ti2 Cu2 O11","formula_reduced":"Ba2Nd2Ti2Cu2O11","formula_anonymous":"A2B2C2D2E11","energy_above_hull":2.2453037371929825,"spacegroup":123},{"id":"jvasp-97528","created_at":"2022-09-04T14:36:21.978538Z","updated_at":"2022-09-04T14:36:21.978575Z","structure_string":"Ca5 Mn1 Si9 Pb9 O33\n1.0\n9.808197 0.000000 0.000000\n-4.904099 8.494148 -0.000000\n-0.000000 -0.000000 10.207303\nCa Mn Si Pb O\n5 1 9 9 33\ndirect\n0.333333 0.666667 0.662173 Ca\n0.666667 0.333333 0.676345 Ca\n0.333333 0.666667 0.337827 Ca\n0.666667 0.333333 0.323655 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Mn\n0.020548 0.400516 0.851017 Si\n0.379968 0.979452 0.148983 Si\n0.406902 0.384368 0.500000 Si\n0.599484 0.620033 0.148983 Si\n0.020548 0.400516 0.148983 Si\n0.977466 0.593098 0.500000 Si\n0.379968 0.979452 0.851017 Si\n0.599484 0.620033 0.851017 Si\n0.615633 0.022535 0.500000 Si\n0.270388 0.262736 0.825951 Pb\n0.992347 0.729612 0.825951 Pb\n0.737265 0.007653 0.174049 Pb\n0.751410 0.746543 0.500000 Pb\n0.992347 0.729612 0.174049 Pb\n0.253457 0.004867 0.500000 Pb\n0.995134 0.248591 0.500000 Pb\n0.737265 0.007653 0.825951 Pb\n0.270388 0.262736 0.174049 Pb\n0.878974 0.398760 0.500000 O\n0.461562 0.868215 0.169841 O\n0.907630 0.645521 0.374089 O\n0.406652 0.538438 0.830159 O\n0.236149 0.929901 0.746166 O\n0.835549 0.344666 0.149780 O\n0.907630 0.645521 0.625911 O\n0.077652 0.370308 0.000000 O\n0.601241 0.480214 0.500000 O\n0.519786 0.121027 0.500000 O\n0.835549 0.344666 0.850219 O\n0.131786 0.593348 0.169841 O\n0.166696 0.672955 0.500000 O\n0.406652 0.538438 0.169841 O\n0.070100 0.306249 0.746166 O\n0.461562 0.868215 0.830159 O\n0.327045 0.493741 0.500000 O\n0.506260 0.833305 0.500000 O\n0.629692 0.707344 0.000000 O\n0.292656 0.922348 0.000000 O\n0.737891 0.092370 0.625911 O\n0.354479 0.262109 0.374089 O\n0.693751 0.763851 0.253834 O\n0.070100 0.306249 0.253834 O\n0.509117 0.164452 0.149780 O\n0.655335 0.490883 0.850219 O\n0.509117 0.164452 0.850219 O\n0.131786 0.593348 0.830159 O\n0.655335 0.490883 0.149780 O\n0.236149 0.929901 0.253834 O\n0.693751 0.763851 0.746166 O\n0.354479 0.262109 0.625911 O\n0.737891 0.092370 0.374089 O\n","nsites":57,"nelements":5,"elements":["Ca","Mn","Si","Pb","O"],"chemical_system":"Ca-Mn-O-Pb-Si","density":5.664459981437806,"density_atomic":0.06702778144535189,"volume":850.3936542562193,"volume_molar":8.984544363757413,"formula_full":"Ca5 Mn1 Si9 Pb9 O33","formula_reduced":"Ca5MnSi9(Pb3O11)3","formula_anonymous":"AB5C9D9E33","energy_above_hull":2.5257317477434964,"spacegroup":174},{"id":"jvasp-59853","created_at":"2022-09-04T14:36:31.105382Z","updated_at":"2022-09-04T14:36:31.105411Z","structure_string":"Y2 Co6 Se4 Cl2 O16\n1.0\n6.273357 -0.000079 -0.006692\n-0.000032 6.898545 -0.001472\n0.009838 0.002461 9.386328\nY Co Se Cl O\n2 6 4 2 16\ndirect\n0.750001 0.736647 0.250000 Y\n0.250000 0.263354 0.750001 Y\n0.500000 -0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.794824 0.750004 Co\n0.750002 0.205176 0.249996 Co\n0.000000 -0.000000 0.500000 Co\n0.750013 0.409448 0.563034 Se\n0.249989 0.590552 0.436966 Se\n0.250002 0.590545 0.063052 Se\n0.749999 0.409456 0.936949 Se\n0.749930 0.859179 0.750059 Cl\n0.250071 0.140822 0.249941 Cl\n0.033817 0.746533 0.412904 O\n0.466376 0.746362 0.413097 O\n0.533811 0.253488 0.912898 O\n0.250000 -0.012567 0.610982 O\n0.750000 0.012566 0.389018 O\n0.966361 0.253628 0.913071 O\n0.033640 0.746373 0.086929 O\n0.750006 0.012574 0.110983 O\n0.966184 0.253467 0.587097 O\n0.533625 0.253639 0.586904 O\n0.466190 0.746513 0.087102 O\n0.249770 0.574613 0.621927 O\n0.749804 0.425389 0.121906 O\n0.250197 0.574611 0.878094 O\n0.249995 -0.012574 0.889018 O\n0.750231 0.425387 0.378074 O\n","nsites":30,"nelements":5,"elements":["Y","Co","Se","Cl","O"],"chemical_system":"Cl-Co-O-Se-Y","density":4.799742399829382,"density_atomic":0.07385289330912025,"volume":406.2129275617051,"volume_molar":8.154238094360906,"formula_full":"Y2 Co6 Se4 Cl2 O16","formula_reduced":"YCo3Se2ClO8","formula_anonymous":"ABC2D3E8","energy_above_hull":2.802581130055556,"spacegroup":59},{"id":"jvasp-101854","created_at":"2022-09-04T14:36:40.363133Z","updated_at":"2022-09-04T14:36:40.363151Z","structure_string":"H2 C6 S4 N2 O2\n1.0\n4.127794 -0.002097 0.356320\n0.113596 4.425245 0.046546\n-0.027881 -0.066929 12.106913\nH C S N O\n2 6 4 2 2\ndirect\n0.921696 0.730591 0.361114 H\n0.421681 0.730600 0.861114 H\n0.857660 0.688396 0.197195 C\n0.357649 0.688405 0.697195 C\n0.389645 0.165489 0.806716 C\n0.889657 0.165480 0.306717 C\n0.734356 0.372850 0.225102 C\n0.234346 0.372859 0.725101 C\n0.464072 0.296460 0.930161 S\n0.964076 0.296451 0.430162 S\n0.916792 0.793562 0.067931 S\n0.416790 0.793569 0.567931 S\n0.895441 0.860450 0.289915 N\n0.395423 0.860459 0.789915 N\n0.482864 0.293576 0.188113 O\n0.982852 0.293583 0.688111 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.9693969545015626,"density_atomic":0.07233013977342088,"volume":221.20792314408757,"volume_molar":8.325907815005982,"formula_full":"H2 C6 S4 N2 O2","formula_reduced":"HC3S2NO","formula_anonymous":"ABCD2E3","energy_above_hull":4.6695533437500005,"spacegroup":1}]}