{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4620","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4618","results":[{"id":"jvasp-8413","created_at":"2022-09-04T14:37:06.222864Z","updated_at":"2022-09-04T14:37:06.222883Z","structure_string":"Ba1 Al1 Fe1 Cu1 O5\n1.0\n3.734589 0.000000 0.000000\n0.000000 3.734589 0.000000\n-0.000000 0.000000 7.790648\nBa Al Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005583 Ba\n0.000000 0.000000 0.466074 Al\n0.500000 0.500000 0.687171 Fe\n0.500000 0.500000 0.272597 Cu\n0.000000 0.500000 0.615062 O\n0.500000 0.000000 0.615062 O\n0.000000 0.500000 0.299666 O\n0.500000 0.000000 0.299666 O\n0.500000 0.500000 0.927037 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Fe","Cu","O"],"chemical_system":"Al-Ba-Cu-Fe-O","density":5.558134545692788,"density_atomic":0.08282916814065329,"volume":108.65737519803389,"volume_molar":7.270555645052144,"formula_full":"Ba1 Al1 Fe1 Cu1 O5","formula_reduced":"BaAlFeCuO5","formula_anonymous":"ABCDE5","energy_above_hull":1.96729358,"spacegroup":99},{"id":"jvasp-11411","created_at":"2022-09-04T14:37:03.906104Z","updated_at":"2022-09-04T14:37:03.906133Z","structure_string":"Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n","nsites":14,"nelements":5,"elements":["Sr","Sc","Cu","S","O"],"chemical_system":"Cu-O-S-Sc-Sr","density":4.767968486418981,"density_atomic":0.0644219863145532,"volume":217.3171117643316,"volume_molar":9.34795883286755,"formula_full":"Sr3 Sc2 Cu2 S2 O5","formula_reduced":"Sr3Sc2Cu2S2O5","formula_anonymous":"A2B2C2D3E5","energy_above_hull":1.446281987857143,"spacegroup":139},{"id":"jvasp-89396","created_at":"2022-09-04T14:36:09.417841Z","updated_at":"2022-09-04T14:36:09.417871Z","structure_string":"Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n","nsites":56,"nelements":5,"elements":["Na","Cd","H","C","O"],"chemical_system":"C-Cd-H-Na-O","density":2.6962940750050692,"density_atomic":0.08405319938634272,"volume":666.2447165467338,"volume_molar":7.164677613662021,"formula_full":"Na4 Cd4 H12 C12 O24","formula_reduced":"NaCdH3(CO2)3","formula_anonymous":"ABC3D3E6","energy_above_hull":3.2447935535714283,"spacegroup":54},{"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-52817","created_at":"2022-09-04T14:36:12.927248Z","updated_at":"2022-09-04T14:36:12.927271Z","structure_string":"Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n","nsites":29,"nelements":5,"elements":["Li","Al","Si","N","O"],"chemical_system":"Al-Li-N-O-Si","density":3.061523048029216,"density_atomic":0.09400842318179208,"volume":308.48299565582795,"volume_molar":6.405958696227119,"formula_full":"Li1 Al3 Si9 N14 O2","formula_reduced":"LiAl3Si9(N7O)2","formula_anonymous":"AB2C3D9E14","energy_above_hull":4.866287527586207,"spacegroup":1},{"id":"jvasp-103541","created_at":"2022-09-04T14:36:36.280636Z","updated_at":"2022-09-04T14:36:36.280664Z","structure_string":"Sr2 Fe2 Se2 O1 F2\n1.0\n3.975639 -0.000000 -0.854862\n-0.183794 3.971410 -0.854754\n0.031347 0.032396 9.817790\nSr Fe Se O F\n2 2 2 1 2\ndirect\n0.673659 0.673651 0.347317 Sr\n0.326343 0.326350 0.652683 Sr\n1.000001 0.500001 0.999999 Fe\n0.500001 0.000002 0.000003 Fe\n0.903574 0.903580 0.807144 Se\n0.096429 0.096421 0.192857 Se\n0.500001 0.500000 0.000000 O\n0.750001 0.249998 0.500001 F\n0.250001 0.750002 0.500000 F\n","nsites":9,"nelements":5,"elements":["Sr","Fe","Se","O","F"],"chemical_system":"F-Fe-O-Se-Sr","density":5.336173636143642,"density_atomic":0.05797712705826631,"volume":155.23363189340355,"volume_molar":10.387097577201128,"formula_full":"Sr2 Fe2 Se2 O1 F2","formula_reduced":"Sr2Fe2Se2OF2","formula_anonymous":"AB2C2D2E2","energy_above_hull":1.1613316020370368,"spacegroup":139},{"id":"jvasp-100468","created_at":"2022-09-04T14:36:32.676474Z","updated_at":"2022-09-04T14:36:32.676503Z","structure_string":"Rb1 Sr1 C1 O3 F1\n1.0\n5.314175 0.000000 0.000000\n-2.657088 4.602211 0.000000\n-0.000000 0.000000 4.799016\nRb Sr C O F\n1 1 1 3 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.500000 C\n0.474485 0.948970 0.500000 O\n0.474485 0.525514 0.500000 O\n0.051029 0.525514 0.500000 O\n0.000000 0.000000 0.000000 F\n","nsites":7,"nelements":5,"elements":["Rb","Sr","C","O","F"],"chemical_system":"C-F-O-Rb-Sr","density":3.566637170350518,"density_atomic":0.05964080051589463,"volume":117.36931663307332,"volume_molar":10.09735065241967,"formula_full":"Rb1 Sr1 C1 O3 F1","formula_reduced":"RbSrCO3F","formula_anonymous":"ABCDE3","energy_above_hull":1.526279584642857,"spacegroup":187},{"id":"jvasp-85775","created_at":"2022-09-04T14:36:09.228285Z","updated_at":"2022-09-04T14:36:09.228307Z","structure_string":"K2 Co1 H2 Se2 O10\n1.0\n5.202958 -0.152198 -0.654238\n-2.123209 6.083917 -2.096478\n-0.281821 0.248192 7.391607\nK Co H Se O\n2 1 2 2 10\ndirect\n0.324932 0.686238 0.266690 K\n0.675068 0.313762 0.733310 K\n0.000000 0.000000 0.000000 Co\n0.949750 0.021043 0.310739 H\n0.050251 0.978957 0.689261 H\n0.333730 0.733469 0.777006 Se\n0.666270 0.266531 0.222994 Se\n0.920086 0.264653 0.099909 O\n0.079914 0.735347 0.900090 O\n0.377089 0.181655 0.030554 O\n0.622912 0.818345 0.969446 O\n0.668215 0.111923 0.361435 O\n0.260871 0.473609 0.654715 O\n0.080985 0.978443 0.240221 O\n0.331785 0.888077 0.638565 O\n0.739130 0.526391 0.345285 O\n0.919015 0.021557 0.759779 O\n","nsites":17,"nelements":5,"elements":["K","Co","H","Se","O"],"chemical_system":"Co-H-K-O-Se","density":3.2513845584420253,"density_atomic":0.0728274755816322,"volume":233.42838488126267,"volume_molar":8.269050536084823,"formula_full":"K2 Co1 H2 Se2 O10","formula_reduced":"K2CoH2(SeO5)2","formula_anonymous":"AB2C2D2E10","energy_above_hull":2.402704625490196,"spacegroup":2},{"id":"jvasp-88458","created_at":"2022-09-04T14:36:12.764987Z","updated_at":"2022-09-04T14:36:12.765006Z","structure_string":"Fe1 Hg1 C4 S4 N4\n1.0\n4.077282 0.000000 1.099743\n2.038641 7.934169 0.549871\n-0.027558 0.000000 8.210280\nFe Hg C S N\n1 1 4 4 4\ndirect\n0.749999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Hg\n0.209201 0.191584 0.640659 C\n0.150139 0.640659 0.808416 C\n0.599214 0.359341 0.191584 C\n0.041444 0.808416 0.359341 C\n0.440349 0.024903 0.710498 S\n0.849151 0.710499 0.975096 S\n0.534747 0.289501 0.024903 S\n0.175751 0.975097 0.289501 S\n0.043738 0.311444 0.587634 N\n0.368628 0.587634 0.688555 N\n0.644817 0.412366 0.311444 N\n0.942816 0.688556 0.412366 N\n","nsites":14,"nelements":5,"elements":["Fe","Hg","C","S","N"],"chemical_system":"C-Fe-Hg-N-S","density":3.052992032779358,"density_atomic":0.05266291149905961,"volume":265.84173949915385,"volume_molar":11.43525982247969,"formula_full":"Fe1 Hg1 C4 S4 N4","formula_reduced":"FeHgC4(SN)4","formula_anonymous":"ABC4D4E4","energy_above_hull":4.787965221428572,"spacegroup":82},{"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-97944","created_at":"2022-09-04T14:36:16.242396Z","updated_at":"2022-09-04T14:36:16.242425Z","structure_string":"Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n","nsites":46,"nelements":5,"elements":["Y","H","C","N","O"],"chemical_system":"C-H-N-O-Y","density":2.1143118839855215,"density_atomic":0.10945142396992981,"volume":420.2777664421966,"volume_molar":5.5021127561158965,"formula_full":"Y1 H16 C4 N9 O16","formula_reduced":"YH16C4N9O16","formula_anonymous":"AB4C9D16E16","energy_above_hull":4.318576319565218,"spacegroup":8},{"id":"jvasp-85697","created_at":"2022-09-04T14:36:16.118482Z","updated_at":"2022-09-04T14:36:16.118513Z","structure_string":"Fe2 Cu1 As2 H2 O10\n1.0\n4.969919 -0.006920 -1.243292\n-1.333717 5.048406 -1.310653\n-0.215258 -0.183836 7.738568\nFe Cu As H O\n2 1 2 2 10\ndirect\n0.813528 0.397023 0.807380 Fe\n0.186471 0.602977 0.192620 Fe\n0.000000 0.000000 0.000000 Cu\n0.289429 0.794923 0.675531 As\n0.710570 0.205077 0.324470 As\n0.235441 0.350961 0.630822 H\n0.764558 0.649040 0.369179 H\n0.851314 0.217066 0.555071 O\n0.148685 0.782934 0.444930 O\n0.981444 0.242164 0.231779 O\n0.018555 0.757836 0.768221 O\n0.435797 0.936853 0.188610 O\n0.411762 0.500066 0.672869 O\n0.135150 0.324844 0.956636 O\n0.564202 0.063147 0.811391 O\n0.588237 0.499934 0.327132 O\n0.864850 0.675156 0.043365 O\n","nsites":17,"nelements":5,"elements":["Fe","Cu","As","H","O"],"chemical_system":"As-Cu-Fe-H-O","density":4.229506293280816,"density_atomic":0.08889577206045467,"volume":191.23519157287862,"volume_molar":6.774383775984947,"formula_full":"Fe2 Cu1 As2 H2 O10","formula_reduced":"Fe2CuAs2(HO5)2","formula_anonymous":"AB2C2D2E10","energy_above_hull":2.907329408823529,"spacegroup":2}]}