{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=93","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=91","results":[{"id":"jvasp-28705","created_at":"2022-09-04T14:36:21.005729Z","updated_at":"2022-09-04T14:36:21.005758Z","structure_string":"Te4 Mo3 W1 Se2 S2\n1.0\n3.408276 -0.000000 0.000003\n-1.704138 2.951649 -0.000015\n0.000032 -0.000188 36.379015\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333340 0.666673 0.330839 Te\n0.333339 0.666694 0.710019 Te\n0.333335 0.666659 0.227723 Te\n0.333346 0.666705 0.606490 Te\n0.333320 0.666634 0.096612 Mo\n0.333334 0.666670 0.468730 Mo\n0.666671 0.333332 0.279322 Mo\n0.666675 0.333365 0.658300 W\n0.666663 0.333326 0.423431 Se\n0.666672 0.333345 0.514004 Se\n0.666649 0.333288 0.055384 S\n0.666657 0.333311 0.137891 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.4634233812048425,"density_atomic":0.03278920162888183,"volume":365.9741440435072,"volume_molar":18.36623174958763,"formula_full":"Te4 Mo3 W1 Se2 S2","formula_reduced":"Te4Mo3W(SeS)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":3.638597125,"spacegroup":156},{"id":"jvasp-86950","created_at":"2022-09-04T14:35:41.605720Z","updated_at":"2022-09-04T14:35:41.605754Z","structure_string":"Ba2 Ca1 Cu2 Hg1 O6\n1.0\n3.894191 0.000000 0.000000\n-0.000000 3.894191 0.000000\n0.000000 0.000000 12.926970\nBa Ca Cu Hg O\n2 1 2 1 6\ndirect\n0.500000 0.500000 0.229064 Ba\n0.500000 0.500000 0.770936 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.385581 Cu\n0.000000 0.000000 0.614419 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.844619 O\n0.000000 0.000000 0.155381 O\n0.500000 0.000000 0.620824 O\n0.000000 0.500000 0.620824 O\n0.500000 0.000000 0.379176 O\n0.000000 0.500000 0.379176 O\n","nsites":12,"nelements":5,"elements":["Ba","Ca","Cu","Hg","O"],"chemical_system":"Ba-Ca-Cu-Hg-O","density":6.254832208971571,"density_atomic":0.06121389407130606,"volume":196.03392631779957,"volume_molar":9.837865816843813,"formula_full":"Ba2 Ca1 Cu2 Hg1 O6","formula_reduced":"Ba2CaCu2HgO6","formula_anonymous":"ABC2D2E6","energy_above_hull":0.9647990716666666,"spacegroup":123},{"id":"jvasp-95239","created_at":"2022-09-04T14:36:19.769643Z","updated_at":"2022-09-04T14:36:19.769671Z","structure_string":"Zr4 H24 N4 O4 F20\n1.0\n10.051389 0.000000 2.288374\n0.000000 7.641161 0.000000\n0.053005 0.000000 6.816414\nZr H N O F\n4 24 4 4 20\ndirect\n0.542438 0.553624 0.734373 Zr\n0.042438 0.946376 0.234374 Zr\n0.457562 0.446376 0.265626 Zr\n0.957563 0.053624 0.765625 Zr\n0.712673 0.879313 0.304032 H\n0.787327 0.379313 0.195967 H\n0.287327 0.120687 0.695966 H\n0.053995 0.650285 0.776787 H\n0.553995 0.849715 0.276787 H\n0.946006 0.349715 0.223212 H\n0.446006 0.150285 0.723212 H\n0.109020 0.444735 0.812470 H\n0.609020 0.055265 0.312470 H\n0.890981 0.555265 0.187528 H\n0.390981 0.944735 0.687528 H\n0.212674 0.620687 0.804032 H\n0.668670 0.957254 0.095529 H\n0.168670 0.542746 0.595529 H\n0.809954 0.444206 0.738125 H\n0.309954 0.055794 0.238126 H\n0.690046 0.944206 0.761872 H\n0.814701 0.650864 0.700154 H\n0.190046 0.555794 0.261873 H\n0.185300 0.349136 0.299845 H\n0.685300 0.150864 0.799844 H\n0.331331 0.042746 0.904470 H\n0.831330 0.457254 0.404470 H\n0.314701 0.849136 0.200155 H\n0.135092 0.566268 0.749617 N\n0.364908 0.066268 0.750382 N\n0.864908 0.433732 0.250382 N\n0.635092 0.933732 0.249617 N\n0.228507 0.459094 0.331644 O\n0.728507 0.040905 0.831644 O\n0.771493 0.540905 0.668354 O\n0.271493 0.959094 0.168355 O\n0.088169 0.899119 0.516176 F\n0.588169 0.600881 0.016176 F\n0.125352 0.201369 0.680849 F\n0.625351 0.298631 0.180849 F\n0.874649 0.798631 0.319150 F\n0.374649 0.701368 0.819150 F\n0.890063 0.307688 0.827315 F\n0.390063 0.192311 0.327315 F\n0.109937 0.692311 0.172684 F\n0.609938 0.807688 0.672683 F\n0.397825 0.707172 0.307023 F\n0.102176 0.207172 0.192976 F\n0.602176 0.292828 0.692975 F\n0.897937 0.067616 0.088351 F\n0.397937 0.432384 0.588350 F\n0.102064 0.932384 0.911648 F\n0.602064 0.567616 0.411648 F\n0.411831 0.399119 0.983822 F\n0.897825 0.792827 0.807023 F\n0.911831 0.100881 0.483822 F\n","nsites":56,"nelements":5,"elements":["Zr","H","N","O","F"],"chemical_system":"F-H-N-O-Zr","density":2.8249945201348217,"density_atomic":0.10715592144395748,"volume":522.602943872663,"volume_molar":5.619979445699208,"formula_full":"Zr4 H24 N4 O4 F20","formula_reduced":"ZrH6NOF5","formula_anonymous":"ABCD5E6","energy_above_hull":2.201429475892857,"spacegroup":14},{"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},{"id":"jvasp-98614","created_at":"2022-09-04T14:36:15.941607Z","updated_at":"2022-09-04T14:36:15.941623Z","structure_string":"Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n","nsites":40,"nelements":5,"elements":["Li","Al","Si","H","O"],"chemical_system":"Al-H-Li-O-Si","density":2.073664787356227,"density_atomic":0.08670894036937643,"volume":461.3134450680828,"volume_molar":6.9452362517013055,"formula_full":"Li4 Al4 Si4 H8 O20","formula_reduced":"LiAlSiH2O5","formula_anonymous":"ABCD2E5","energy_above_hull":2.4937628899999997,"spacegroup":33},{"id":"jvasp-96791","created_at":"2022-09-04T14:36:16.345077Z","updated_at":"2022-09-04T14:36:16.345106Z","structure_string":"H40 C12 N4 Cl4 O4\n1.0\n5.244877 0.000000 0.000000\n-0.000000 7.394971 0.000000\n0.000000 0.000000 14.130869\nH C N Cl O\n40 12 4 4 4\ndirect\n0.794246 0.872777 0.563376 H\n0.273800 0.916712 0.077813 H\n0.773800 0.416712 0.422187 H\n0.726201 0.416712 0.922187 H\n0.032643 0.465764 0.145456 H\n0.226200 0.916712 0.577813 H\n0.967357 0.534236 0.854544 H\n0.967357 0.965764 0.854544 H\n0.939939 0.750000 0.994820 H\n0.205754 0.127223 0.436624 H\n0.560062 0.750000 0.494820 H\n0.216262 0.911085 0.705533 H\n0.060062 0.250000 0.005180 H\n0.783738 0.411085 0.294467 H\n0.447700 0.250000 0.218286 H\n0.705755 0.872777 0.063376 H\n0.947700 0.750000 0.281714 H\n0.283738 0.911085 0.205533 H\n0.294246 0.127223 0.936624 H\n0.794246 0.627223 0.563376 H\n0.205754 0.372777 0.436624 H\n0.032643 0.034236 0.145456 H\n0.294246 0.372777 0.936624 H\n0.726201 0.083288 0.922187 H\n0.052301 0.250000 0.718286 H\n0.226200 0.583288 0.577813 H\n0.467357 0.465764 0.645456 H\n0.532643 0.534236 0.354544 H\n0.773800 0.083288 0.422187 H\n0.783738 0.088915 0.294467 H\n0.439939 0.250000 0.505180 H\n0.552301 0.750000 0.781714 H\n0.216262 0.588915 0.705533 H\n0.716263 0.088915 0.794467 H\n0.705755 0.627223 0.063376 H\n0.467357 0.034236 0.645456 H\n0.273800 0.583288 0.077813 H\n0.283738 0.588915 0.205533 H\n0.716263 0.411085 0.794467 H\n0.532643 0.965764 0.354544 H\n0.160179 0.916663 0.143076 C\n0.322054 0.250000 0.440983 C\n0.839821 0.416663 0.856924 C\n0.160179 0.583337 0.143076 C\n0.660179 0.416663 0.356924 C\n0.177947 0.250000 0.940983 C\n0.822054 0.750000 0.059017 C\n0.839821 0.083337 0.856924 C\n0.660179 0.083337 0.356924 C\n0.677947 0.750000 0.559017 C\n0.339821 0.583337 0.643076 C\n0.339821 0.916663 0.643076 C\n0.501924 0.750000 0.642108 N\n0.998077 0.750000 0.142108 N\n0.001924 0.250000 0.857892 N\n0.498076 0.250000 0.357892 N\n0.856736 0.250000 0.602798 Cl\n0.356736 0.750000 0.897202 Cl\n0.643265 0.250000 0.102798 Cl\n0.143265 0.750000 0.397202 Cl\n0.331689 0.250000 0.277010 O\n0.831689 0.750000 0.222990 O\n0.668312 0.750000 0.722990 O\n0.168311 0.250000 0.777010 O\n","nsites":64,"nelements":5,"elements":["H","C","N","Cl","O"],"chemical_system":"C-Cl-H-N-O","density":1.352129238494554,"density_atomic":0.11677216188120904,"volume":548.0758339055712,"volume_molar":5.157171592083953,"formula_full":"H40 C12 N4 Cl4 O4","formula_reduced":"H10C3NClO","formula_anonymous":"ABCD3E10","energy_above_hull":3.99963192609375,"spacegroup":62},{"id":"jvasp-28898","created_at":"2022-09-04T14:37:05.436096Z","updated_at":"2022-09-04T14:37:05.436124Z","structure_string":"Te2 Mo1 W3 Se4 S2\n1.0\n3.348823 -0.000000 -0.000000\n-1.674412 2.900176 0.000000\n-0.000000 0.000009 37.911439\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333357 0.666713 0.707780 Te\n0.333357 0.666716 0.607082 Te\n0.333282 0.666564 0.469666 Mo\n0.333318 0.666634 0.093946 W\n0.666698 0.333397 0.281841 W\n0.666694 0.333389 0.657496 W\n0.333356 0.666713 0.326016 Se\n0.666647 0.333295 0.049877 Se\n0.666638 0.333275 0.138108 Se\n0.333355 0.666712 0.237620 Se\n0.666651 0.333300 0.429610 S\n0.666650 0.333300 0.509707 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.784471342253618,"density_atomic":0.03259075554815554,"volume":368.2025715012653,"volume_molar":18.47806428145487,"formula_full":"Te2 Mo1 W3 Se4 S2","formula_reduced":"Te2MoW3(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":4.125766241666668,"spacegroup":156},{"id":"jvasp-86163","created_at":"2022-09-04T14:36:20.653673Z","updated_at":"2022-09-04T14:36:20.653712Z","structure_string":"K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n","nsites":16,"nelements":5,"elements":["K","Fe","Cu","C","N"],"chemical_system":"C-Cu-Fe-K-N","density":2.367996450698989,"density_atomic":0.06450994854378524,"volume":248.02376007384694,"volume_molar":9.335212468682338,"formula_full":"K2 Fe1 Cu1 C6 N6","formula_reduced":"K2FeCu(CN)6","formula_anonymous":"ABC2D6E6","energy_above_hull":5.321241340625,"spacegroup":12},{"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-29129","created_at":"2022-09-04T14:37:28.966833Z","updated_at":"2022-09-04T14:37:28.966868Z","structure_string":"Te2 Mo3 W1 Se4 S2\n1.0\n3.346157 0.000000 -0.000000\n-1.673079 2.897176 0.000486\n-0.000000 0.005611 34.170994\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667943 0.335884 0.024674 Te\n0.667722 0.335442 0.135864 Te\n0.334380 0.668759 0.080209 Mo\n0.332891 0.665782 0.476230 Mo\n0.667117 0.334234 0.284102 Mo\n0.665568 0.331137 0.662325 W\n0.333530 0.667062 0.332905 Se\n0.666314 0.332627 0.427465 Se\n0.666116 0.332230 0.525019 Se\n0.333953 0.667909 0.235310 Se\n0.332065 0.664130 0.706935 S\n0.332405 0.664811 0.617710 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.548188736289209,"density_atomic":0.03622450444371035,"volume":331.2674716819641,"volume_molar":16.624494530650846,"formula_full":"Te2 Mo3 W1 Se4 S2","formula_reduced":"Te2Mo3W(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":3.7227988916666663,"spacegroup":156},{"id":"jvasp-28995","created_at":"2022-09-04T14:37:42.957347Z","updated_at":"2022-09-04T14:37:42.957364Z","structure_string":"Te2 Mo1 W3 Se4 S2\n1.0\n3.351036 0.000005 0.000004\n-1.675514 2.902043 0.000001\n0.000046 0.000031 37.873956\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666646 0.333288 0.043984 Te\n0.666643 0.333283 0.144079 Te\n0.333316 0.666626 0.093884 Mo\n0.333317 0.666629 0.469669 W\n0.666686 0.333365 0.281820 W\n0.666688 0.333371 0.657513 W\n0.333358 0.666712 0.701557 Se\n0.666645 0.333287 0.425427 Se\n0.666640 0.333279 0.513895 Se\n0.333364 0.666725 0.613305 Se\n0.333351 0.666705 0.322084 S\n0.333355 0.666711 0.241531 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.782644713761526,"density_atomic":0.03258046399355344,"volume":368.3188797548859,"volume_molar":18.48390115374531,"formula_full":"Te2 Mo1 W3 Se4 S2","formula_reduced":"Te2MoW3(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":4.122961241666667,"spacegroup":156},{"id":"jvasp-44576","created_at":"2022-09-04T14:38:13.287403Z","updated_at":"2022-09-04T14:38:13.287434Z","structure_string":"Na2 Cr2 As2 C2 O14\n1.0\n0.000000 5.286901 -0.240196\n6.404150 0.000000 0.000000\n0.000000 -0.011710 -8.766140\nNa Cr As C O\n2 2 2 2 14\ndirect\n0.840932 0.525623 0.176037 Na\n0.159067 0.025623 0.823964 Na\n0.231978 0.238258 0.328207 Cr\n0.768021 0.738258 0.671794 Cr\n0.294134 0.744296 0.433239 As\n0.705866 0.244296 0.566762 As\n0.372276 0.253605 0.065098 C\n0.627724 0.753605 0.934903 C\n0.482040 0.764710 0.814209 O\n0.774869 0.452659 0.683181 O\n0.787243 0.040266 0.679772 O\n0.112591 0.755367 0.599606 O\n0.390314 0.236160 0.525579 O\n0.609686 0.736160 0.474421 O\n0.517960 0.264710 0.185791 O\n0.212757 0.540266 0.320229 O\n0.225130 0.952659 0.316820 O\n0.869320 0.744911 0.887284 O\n0.130680 0.244911 0.112717 O\n0.548803 0.746293 0.069035 O\n0.887409 0.255367 0.400394 O\n0.451197 0.246293 0.930966 O\n","nsites":22,"nelements":5,"elements":["Na","Cr","As","C","O"],"chemical_system":"As-C-Cr-Na-O","density":3.064755564393397,"density_atomic":0.07411826568950977,"volume":296.8229193618833,"volume_molar":8.125042732688138,"formula_full":"Na2 Cr2 As2 C2 O14","formula_reduced":"NaCrAsCO7","formula_anonymous":"ABCDE7","energy_above_hull":3.082259331818181,"spacegroup":4}]}