{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=89","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=87","results":[{"id":"jvasp-10583","created_at":"2022-09-04T14:37:09.186241Z","updated_at":"2022-09-04T14:37:09.186267Z","structure_string":"K2 Hf2 Cu2 S6\n1.0\n3.723348 0.000000 0.000000\n-1.861674 6.961166 0.000000\n0.000000 -0.000000 9.749922\nK Hf Cu S\n2 2 2 6\ndirect\n0.255333 0.510663 0.250000 K\n0.744669 0.489337 0.750000 K\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.537866 0.075730 0.250000 Cu\n0.462136 0.924270 0.750000 Cu\n0.376628 0.753254 0.549020 S\n0.623374 0.246746 0.450980 S\n0.623374 0.246746 0.049020 S\n0.063447 0.126894 0.750000 S\n0.936555 0.873107 0.250000 S\n0.376628 0.753254 0.950980 S\n","nsites":12,"nelements":4,"elements":["K","Hf","Cu","S"],"chemical_system":"Cu-Hf-K-S","density":4.958871588637851,"density_atomic":0.04748587940750211,"volume":252.70670249194472,"volume_molar":12.681961111682782,"formula_full":"K2 Hf2 Cu2 S6","formula_reduced":"KHfCuS3","formula_anonymous":"ABCD3","energy_above_hull":1.5820269083333338,"spacegroup":63},{"id":"jvasp-57457","created_at":"2022-09-04T14:38:34.652178Z","updated_at":"2022-09-04T14:38:34.652204Z","structure_string":"K2 Nd2 Pd2 O6\n1.0\n3.959621 -0.000000 -0.000000\n-1.979810 6.441771 -1.715266\n-0.000000 -0.002464 7.402312\nK Nd Pd O\n2 2 2 6\ndirect\n0.643972 0.287944 0.564835 K\n0.356028 0.712056 0.435164 K\n0.350400 0.700799 0.920311 Nd\n0.649600 0.299201 0.079688 Nd\n0.993508 0.987016 0.230597 Pd\n0.006492 0.012985 0.769402 Pd\n0.847544 0.695090 0.716944 O\n0.493605 0.987210 0.193960 O\n0.168342 0.336685 0.864275 O\n0.152456 0.304910 0.283055 O\n0.831658 0.663316 0.135724 O\n0.506395 0.012791 0.806039 O\n","nsites":12,"nelements":4,"elements":["K","Nd","Pd","O"],"chemical_system":"K-Nd-O-Pd","density":5.941520340360596,"density_atomic":0.06356139992998487,"volume":188.79382790842277,"volume_molar":9.474525052364486,"formula_full":"K2 Nd2 Pd2 O6","formula_reduced":"KNdPdO3","formula_anonymous":"ABCD3","energy_above_hull":1.41767595,"spacegroup":12},{"id":"jvasp-9993","created_at":"2022-09-04T14:37:08.823989Z","updated_at":"2022-09-04T14:37:08.824018Z","structure_string":"Ba2 Y2 Ag2 Se6\n1.0\n4.271190 -0.000000 -0.000000\n-2.135595 7.099444 0.000000\n0.000000 0.000000 10.725658\nBa Y Ag Se\n2 2 2 6\ndirect\n0.751107 0.502213 0.250000 Ba\n0.248893 0.497787 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.467940 0.935879 0.250000 Ag\n0.532061 0.064120 0.750000 Ag\n0.636992 0.273983 0.548484 Se\n0.363009 0.726017 0.451516 Se\n0.363009 0.726017 0.048484 Se\n0.920814 0.841625 0.750000 Se\n0.079187 0.158374 0.250000 Se\n0.636992 0.273983 0.951516 Se\n","nsites":12,"nelements":4,"elements":["Ba","Y","Ag","Se"],"chemical_system":"Ag-Ba-Se-Y","density":5.830470660358734,"density_atomic":0.036896406659237865,"volume":325.23492357474663,"volume_molar":16.32175408195805,"formula_full":"Ba2 Y2 Ag2 Se6","formula_reduced":"BaYAgSe3","formula_anonymous":"ABCD3","energy_above_hull":0.94173313,"spacegroup":63},{"id":"jvasp-95186","created_at":"2022-09-04T14:36:17.890047Z","updated_at":"2022-09-04T14:36:17.890076Z","structure_string":"Cu4 Sb4 Pb4 S12\n1.0\n7.876434 0.000022 0.000043\n0.000032 8.215228 0.000077\n-0.000016 -0.000070 8.761485\nCu Sb Pb S\n4 4 4 12\ndirect\n0.242832 0.277932 0.428813 Cu\n0.742835 0.722069 0.928809 Cu\n0.757166 0.277930 0.428803 Cu\n0.257173 0.722069 0.928813 Cu\n0.499994 0.073093 0.054332 Sb\n-0.000000 0.926906 0.554335 Sb\n0.500004 0.490272 0.664169 Sb\n0.000000 0.509727 0.164169 Sb\n0.499998 0.559320 0.184661 Pb\n0.000000 0.440680 0.684662 Pb\n0.499999 0.926649 0.502453 Pb\n0.999992 0.073353 0.002452 Pb\n0.499998 0.232487 0.298277 S\n0.000003 0.767513 0.798281 S\n0.000003 0.238187 0.288172 S\n0.265185 0.564852 0.484476 S\n0.500002 0.761812 0.788173 S\n0.234815 0.435147 0.984470 S\n0.763232 0.108139 0.644183 S\n0.734818 0.564852 0.484470 S\n0.236762 0.108138 0.644188 S\n0.765182 0.435146 0.984475 S\n0.263230 0.891864 0.144186 S\n0.736759 0.891861 0.144185 S\n","nsites":24,"nelements":4,"elements":["Cu","Sb","Pb","S"],"chemical_system":"Cu-Pb-S-Sb","density":5.72565710155903,"density_atomic":0.04233350824450684,"volume":566.9267914528256,"volume_molar":14.225470578100335,"formula_full":"Cu4 Sb4 Pb4 S12","formula_reduced":"CuSbPbS3","formula_anonymous":"ABCD3","energy_above_hull":1.247697895,"spacegroup":31},{"id":"jvasp-112033","created_at":"2022-09-04T14:38:43.200494Z","updated_at":"2022-09-04T14:38:43.200518Z","structure_string":"H4 C12 S4 O4\n1.0\n3.695350 -0.019468 -0.078754\n0.487572 7.491464 2.563233\n-0.369587 -0.272098 10.474797\nH C S O\n4 12 4 4\ndirect\n0.237933 0.419412 0.267036 H\n0.237934 0.919412 0.767036 H\n0.218374 0.251142 0.091843 H\n0.218374 0.751142 0.591843 H\n0.020442 0.779065 0.296969 C\n0.020444 0.279065 0.796969 C\n0.861357 0.949014 0.319798 C\n0.861357 0.449014 0.819799 C\n0.952463 0.646233 0.115900 C\n0.952463 0.146233 0.615900 C\n0.938311 0.484594 0.946652 C\n0.105685 0.885861 0.570128 C\n0.105686 0.385861 0.070128 C\n0.117049 0.976483 0.666416 C\n0.117049 0.476483 0.166416 C\n0.938310 0.984593 0.446652 C\n0.782755 0.694832 0.950578 S\n0.782754 0.194833 0.450579 S\n0.296339 0.128183 0.902218 S\n0.296337 0.628183 0.402218 S\n0.893143 0.779716 0.171399 O\n0.664023 0.555976 0.728808 O\n0.664024 0.055976 0.228809 O\n0.893143 0.279717 0.671399 O\n","nsites":24,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.9327857336999672,"density_atomic":0.08206040308555071,"volume":292.46748855205107,"volume_molar":7.338668265767251,"formula_full":"H4 C12 S4 O4","formula_reduced":"HC3SO","formula_anonymous":"ABCD3","energy_above_hull":4.6087455833333335,"spacegroup":1},{"id":"jvasp-56628","created_at":"2022-09-04T14:38:31.069884Z","updated_at":"2022-09-04T14:38:31.069902Z","structure_string":"Fe4 Te4 O12 F4\n1.0\n0.000000 5.093194 0.016154\n5.051628 0.000000 0.000000\n0.000000 -3.508440 -12.469576\nFe Te O F\n4 4 12 4\ndirect\n0.110588 0.759797 0.073096 Fe\n0.889412 0.240203 0.926904 Fe\n0.889412 0.259797 0.426904 Fe\n0.110588 0.740203 0.573096 Fe\n0.319283 0.787173 0.830972 Te\n0.319283 0.712828 0.330972 Te\n0.680717 0.287173 0.669029 Te\n0.680717 0.212827 0.169029 Te\n0.063877 0.584066 0.201823 O\n0.936123 0.084066 0.298177 O\n0.867271 0.431296 0.569174 O\n0.132728 0.568705 0.430827 O\n0.550214 0.096876 0.837910 O\n0.936123 0.415935 0.798177 O\n0.449786 0.596876 0.662090 O\n0.867271 0.068704 0.069174 O\n0.063877 0.915935 0.701823 O\n0.132728 0.931296 0.930827 O\n0.550214 0.403124 0.337910 O\n0.449785 0.903124 0.162090 O\n0.247981 0.067542 0.515446 F\n0.247981 0.432458 0.015446 F\n0.752019 0.567542 0.984555 F\n0.752019 0.932459 0.484554 F\n","nsites":24,"nelements":4,"elements":["Fe","Te","O","F"],"chemical_system":"F-Fe-O-Te","density":5.189553910039793,"density_atomic":0.0748730811638602,"volume":320.5424383093819,"volume_molar":8.043132012719642,"formula_full":"Fe4 Te4 O12 F4","formula_reduced":"FeTeO3F","formula_anonymous":"ABCD3","energy_above_hull":1.868434008194444,"spacegroup":14},{"id":"jvasp-24953","created_at":"2022-09-04T14:38:30.998225Z","updated_at":"2022-09-04T14:38:30.998242Z","structure_string":"K4 Na4 Ge4 O12\n1.0\n4.801822 0.000000 0.000000\n0.000000 6.907163 0.000000\n0.000000 0.000000 10.736453\nK Na Ge O\n4 4 4 12\ndirect\n0.525088 0.886002 0.735807 K\n0.525088 0.386002 0.764192 K\n0.025088 0.613997 0.235807 K\n0.025088 0.113997 0.264193 K\n0.539455 0.878533 0.417101 Na\n0.039455 0.621466 0.917101 Na\n0.539455 0.378534 0.082899 Na\n0.039455 0.121466 0.582899 Na\n0.001244 0.131939 0.950278 Ge\n0.501243 0.868061 0.049722 Ge\n0.501243 0.368061 0.450278 Ge\n0.001244 0.631939 0.549721 Ge\n0.057720 0.839388 0.458135 O\n0.122815 0.913602 0.031778 O\n0.557720 0.160612 0.541865 O\n0.568377 0.860450 0.208254 O\n0.622815 0.586397 0.531778 O\n0.122815 0.413602 0.468222 O\n0.068377 0.639549 0.708254 O\n0.622815 0.086397 0.968222 O\n0.057720 0.339388 0.041865 O\n0.557720 0.660612 0.958135 O\n0.568377 0.360450 0.291746 O\n0.068377 0.139550 0.791746 O\n","nsites":24,"nelements":4,"elements":["K","Na","Ge","O"],"chemical_system":"Ge-K-Na-O","density":3.408344516229646,"density_atomic":0.06739763425350732,"volume":356.0955850427503,"volume_molar":8.93524057142497,"formula_full":"K4 Na4 Ge4 O12","formula_reduced":"KNaGeO3","formula_anonymous":"ABCD3","energy_above_hull":0.861230575,"spacegroup":33},{"id":"jvasp-28758","created_at":"2022-09-04T14:38:30.601232Z","updated_at":"2022-09-04T14:38:30.601261Z","structure_string":"Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.101097669471311,"density_atomic":0.04051505582997158,"volume":296.18618940968685,"volume_molar":14.863957698276295,"formula_full":"Mo2 W2 Se2 S6","formula_reduced":"MoWSeS3","formula_anonymous":"ABCD3","energy_above_hull":3.754311544444444,"spacegroup":156},{"id":"jvasp-9772","created_at":"2022-09-04T14:37:05.746211Z","updated_at":"2022-09-04T14:37:05.746234Z","structure_string":"Ag2 Hg2 As2 S6\n1.0\n6.461802 0.020222 -1.448880\n-3.587431 5.374536 -1.448880\n-0.019786 -0.037136 7.849230\nAg Hg As S\n2 2 2 6\ndirect\n0.016481 0.992314 0.252504 Ag\n0.992312 0.016480 0.752503 Ag\n0.658826 0.307890 0.228219 Hg\n0.307890 0.658826 0.728219 Hg\n0.323534 0.624226 0.209091 As\n0.624225 0.323534 0.709091 As\n0.972454 0.226824 0.051905 S\n0.226824 0.972455 0.551906 S\n0.815706 0.234209 0.513381 S\n0.566428 0.579906 0.577299 S\n0.579906 0.566429 0.077299 S\n0.234210 0.815707 0.013381 S\n","nsites":12,"nelements":4,"elements":["Ag","Hg","As","S"],"chemical_system":"Ag-As-Hg-S","density":5.845378087944873,"density_atomic":0.04404112516319285,"volume":272.47260272153403,"volume_molar":13.673903056938643,"formula_full":"Ag2 Hg2 As2 S6","formula_reduced":"AgHgAsS3","formula_anonymous":"ABCD3","energy_above_hull":1.0987256016666664,"spacegroup":9},{"id":"jvasp-91421","created_at":"2022-09-04T14:35:50.752816Z","updated_at":"2022-09-04T14:35:50.752842Z","structure_string":"Yb4 Se4 O12 F4\n1.0\n6.498913 0.000000 -0.441467\n0.000000 6.838090 0.000000\n0.501159 0.000000 6.713239\nYb Se O F\n4 4 12 4\ndirect\n0.132522 0.176589 0.868261 Yb\n0.132522 0.323411 0.368261 Yb\n0.867478 0.823411 0.131739 Yb\n0.867478 0.676589 0.631739 Yb\n0.670348 0.360922 0.187068 Se\n0.329652 0.860922 0.312931 Se\n0.329652 0.639078 0.812932 Se\n0.670348 0.139078 0.687068 Se\n0.804055 0.968576 0.818124 O\n0.860699 0.302102 0.641260 O\n0.491307 0.763389 0.136267 O\n0.508693 0.263389 0.363733 O\n0.195945 0.468576 0.681876 O\n0.860699 0.197898 0.141259 O\n0.139301 0.697898 0.358740 O\n0.804055 0.531424 0.318124 O\n0.139301 0.802102 0.858740 O\n0.195945 0.031424 0.181875 O\n0.491307 0.736611 0.636267 O\n0.508693 0.236611 0.863733 O\n0.786101 0.925467 0.430425 F\n0.213899 0.074533 0.569575 F\n0.786101 0.574533 0.930425 F\n0.213899 0.425467 0.069575 F\n","nsites":24,"nelements":4,"elements":["Yb","Se","O","F"],"chemical_system":"F-O-Se-Yb","density":7.066278068686191,"density_atomic":0.08003995171125068,"volume":299.85025586449075,"volume_molar":7.523918532241577,"formula_full":"Yb4 Se4 O12 F4","formula_reduced":"YbSeO3F","formula_anonymous":"ABCD3","energy_above_hull":1.0738774748611108,"spacegroup":14},{"id":"jvasp-111658","created_at":"2022-09-04T14:38:26.623917Z","updated_at":"2022-09-04T14:38:26.623938Z","structure_string":"Li3 Co3 B3 O9\n1.0\n8.191816 0.000000 -0.000000\n-4.095909 7.094321 -0.000000\n-0.000000 0.000000 3.009662\nLi Co B O\n3 3 3 9\ndirect\n0.043837 0.696392 0.000000 Li\n0.303608 0.347445 0.000000 Li\n0.652555 0.956162 0.000000 Li\n0.963133 0.319256 0.500000 Co\n0.680744 0.643876 0.500000 Co\n0.356124 0.036868 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.500000 B\n0.446366 0.861151 0.500000 O\n0.771607 0.242590 0.000000 O\n0.805917 0.916299 0.500000 O\n0.757410 0.529017 0.000000 O\n0.110381 0.194083 0.500000 O\n0.083701 0.889618 0.500000 O\n0.138849 0.585215 0.500000 O\n0.470984 0.228393 0.000000 O\n0.414785 0.553634 0.500000 O\n","nsites":18,"nelements":4,"elements":["Li","Co","B","O"],"chemical_system":"B-Co-Li-O","density":3.551159853542612,"density_atomic":0.10291146390432342,"volume":174.90762755774773,"volume_molar":5.8517686286133985,"formula_full":"Li3 Co3 B3 O9","formula_reduced":"LiCoBO3","formula_anonymous":"ABCD3","energy_above_hull":2.582870663888889,"spacegroup":174},{"id":"jvasp-112095","created_at":"2022-09-04T14:38:42.830791Z","updated_at":"2022-09-04T14:38:42.830819Z","structure_string":"H4 C12 S4 O4\n1.0\n3.945378 0.047210 -0.045973\n-1.545580 7.905218 -2.008017\n0.040405 0.141552 9.896256\nH C S O\n4 12 4 4\ndirect\n0.271001 0.557465 0.264412 H\n0.771036 0.057468 0.764418 H\n0.532110 0.760034 0.106233 H\n0.032159 0.260036 0.606241 H\n0.710128 0.692337 0.637900 C\n0.210135 0.192333 0.137901 C\n0.282744 0.077474 0.331688 C\n0.782722 0.577473 0.831686 C\n0.350043 0.346007 0.098135 C\n0.850050 0.846009 0.598136 C\n0.607067 0.534978 0.951959 C\n0.001644 0.123668 0.576320 C\n0.501610 0.623666 0.076315 C\n0.863771 0.015543 0.661525 C\n0.363745 0.515540 0.161520 C\n0.107088 0.034980 0.451961 C\n0.523013 0.320704 0.936742 S\n0.023013 0.820706 0.436742 S\n0.585691 0.513752 0.524124 S\n0.085704 0.013747 0.024127 S\n0.685570 0.708691 0.781879 O\n0.990284 0.496494 0.772736 O\n0.490305 0.996497 0.272739 O\n0.185586 0.208690 0.281880 O\n","nsites":24,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.820423525768931,"density_atomic":0.07728983389433863,"volume":310.51949254813917,"volume_molar":7.791633720202771,"formula_full":"H4 C12 S4 O4","formula_reduced":"HC3SO","formula_anonymous":"ABCD3","energy_above_hull":4.601748916666667,"spacegroup":1}]}