{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=498","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=496","results":[{"id":"jvasp-9601","created_at":"2022-09-04T14:37:17.253854Z","updated_at":"2022-09-04T14:37:17.253882Z","structure_string":"Cu4 Sb4 S8\n1.0\n3.825881 -0.000000 0.000000\n-0.000000 6.125428 0.000000\n0.000000 0.000000 14.524405\nCu Sb S\n4 4 8\ndirect\n0.250000 0.250277 0.173331 Cu\n0.250000 0.750277 0.326669 Cu\n0.750000 0.749723 0.826669 Cu\n0.750000 0.249723 0.673332 Cu\n0.250000 0.729055 0.562214 Sb\n0.750000 0.270946 0.437786 Sb\n0.250000 0.229054 0.937787 Sb\n0.750000 0.770946 0.062214 Sb\n0.250000 0.125875 0.597521 S\n0.750000 0.874126 0.402479 S\n0.250000 0.625875 0.902479 S\n0.750000 0.374126 0.097521 S\n0.750000 0.625407 0.676979 S\n0.250000 0.874594 0.176979 S\n0.750000 0.125407 0.823021 S\n0.250000 0.374593 0.323021 S\n","nsites":16,"nelements":3,"elements":["Cu","Sb","S"],"chemical_system":"Cu-S-Sb","density":4.867455333811225,"density_atomic":0.04700604752057243,"volume":340.3817347756695,"volume_molar":12.811416993450429,"formula_full":"Cu4 Sb4 S8","formula_reduced":"CuSbS2","formula_anonymous":"ABC2","energy_above_hull":1.1642291375000002,"spacegroup":62},{"id":"jvasp-37966","created_at":"2022-09-04T14:38:03.279980Z","updated_at":"2022-09-04T14:38:03.279997Z","structure_string":"Ac6 Pr2\n1.0\n3.931757 -6.810002 -0.000000\n3.931757 6.810002 0.000000\n-0.000000 0.000000 6.355545\nAc Pr\n6 2\ndirect\n0.168737 0.337474 0.250000 Ac\n0.662527 0.831264 0.250000 Ac\n0.168738 0.831263 0.250000 Ac\n0.831264 0.662527 0.750001 Ac\n0.337474 0.168737 0.750001 Ac\n0.831263 0.168738 0.750001 Ac\n0.333333 0.666667 0.750001 Pr\n0.666667 0.333333 0.250000 Pr\n","nsites":8,"nelements":2,"elements":["Ac","Pr"],"chemical_system":"Ac-Pr","density":8.020203980717945,"density_atomic":0.023505705203005146,"volume":340.34290530356947,"volume_molar":25.61991103006807,"formula_full":"Ac6 Pr2","formula_reduced":"Ac3Pr","formula_anonymous":"AB3","energy_above_hull":0.9841624625,"spacegroup":194},{"id":"jvasp-91332","created_at":"2022-09-04T14:36:12.445555Z","updated_at":"2022-09-04T14:36:12.445573Z","structure_string":"Fe4 Ni8 B4 O20\n1.0\n3.012920 0.000000 0.000000\n0.000000 9.134004 -0.000000\n0.000000 -0.000000 12.366774\nFe Ni B O\n4 8 4 20\ndirect\n0.000000 0.238810 0.111145 Fe\n0.000000 0.761188 0.888853 Fe\n0.000000 0.738811 0.388853 Fe\n0.000000 0.261188 0.611146 Fe\n0.500001 -0.002101 0.280417 Ni\n0.500001 0.497900 0.219583 Ni\n0.500001 0.502100 0.780417 Ni\n0.500001 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500001 0.500000 0.500000 Ni\n0.500001 0.002101 0.719582 Ni\n0.000000 0.274098 0.359152 B\n0.000000 0.225903 0.859152 B\n0.000000 0.774097 0.140849 B\n0.000000 0.725902 0.640849 B\n0.000000 0.349184 0.261803 O\n0.000000 0.122621 0.359389 O\n0.500001 0.886828 0.422805 O\n0.500001 0.613172 0.922803 O\n0.500001 0.386828 0.077196 O\n0.000000 0.377379 0.859389 O\n0.000000 0.622621 0.140612 O\n0.000000 0.150815 0.761804 O\n0.000000 0.877379 0.640610 O\n0.500001 0.605034 0.354336 O\n0.500001 0.894967 0.854336 O\n0.500001 0.105034 0.145663 O\n0.000000 0.351078 0.456136 O\n0.500001 0.394966 0.645664 O\n0.500001 0.113172 0.577196 O\n0.000000 0.148921 0.956136 O\n0.000000 0.849184 0.238197 O\n0.000000 0.650814 0.738196 O\n0.000000 0.648921 0.543862 O\n0.000000 0.851079 0.043862 O\n","nsites":36,"nelements":4,"elements":["Fe","Ni","B","O"],"chemical_system":"B-Fe-Ni-O","density":5.153155667654136,"density_atomic":0.10577846945640924,"volume":340.33390901761356,"volume_molar":5.693163070847506,"formula_full":"Fe4 Ni8 B4 O20","formula_reduced":"FeNi2BO5","formula_anonymous":"ABC2D5","energy_above_hull":2.738898931481481,"spacegroup":55},{"id":"jvasp-119102","created_at":"2022-09-04T14:38:50.991242Z","updated_at":"2022-09-04T14:38:50.991270Z","structure_string":"Ga5 Cu1 Se8\n1.0\n5.507931 -0.000000 0.000000\n0.000000 5.507931 0.000000\n-0.000000 -0.000000 11.217505\nGa Cu Se\n5 1 8\ndirect\n-0.000000 0.500000 0.255433 Ga\n0.500000 0.000000 0.744567 Ga\n-0.000000 0.500000 0.744567 Ga\n0.500000 0.000000 0.255433 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.269756 0.269756 0.114750 Se\n0.730244 0.730244 0.114750 Se\n0.269756 0.730244 0.885250 Se\n0.730244 0.269756 0.885250 Se\n0.235657 0.235657 0.615975 Se\n0.764343 0.764343 0.615975 Se\n0.235657 0.764343 0.384025 Se\n0.764343 0.235657 0.384025 Se\n","nsites":14,"nelements":3,"elements":["Ga","Cu","Se"],"chemical_system":"Cu-Ga-Se","density":5.093428272837436,"density_atomic":0.04113909956480641,"volume":340.308858193306,"volume_molar":14.63848461367834,"formula_full":"Ga5 Cu1 Se8","formula_reduced":"Ga5CuSe8","formula_anonymous":"AB5C8","energy_above_hull":0.7101063577380953,"spacegroup":111},{"id":"jvasp-50800","created_at":"2022-09-04T14:37:01.068207Z","updated_at":"2022-09-04T14:37:01.068231Z","structure_string":"Li12 Cu4 S8\n1.0\n5.301556 -0.000000 0.000000\n-0.000000 5.302025 0.000000\n0.000000 0.000000 12.103344\nLi Cu S\n12 4 8\ndirect\n0.000000 0.750001 0.749901 Li\n0.250106 0.999488 0.427019 Li\n0.249894 0.999488 0.927019 Li\n0.249894 0.499487 0.072981 Li\n0.500000 0.750001 0.249902 Li\n0.500000 0.250000 0.750098 Li\n0.250106 0.499487 0.572980 Li\n0.750106 0.000513 0.072981 Li\n0.749895 0.000513 0.572980 Li\n0.749895 0.500513 0.427019 Li\n0.000000 0.250000 0.250098 Li\n0.750106 0.500513 0.927019 Li\n0.500000 0.250000 0.250049 Cu\n0.500000 0.750001 0.749950 Cu\n0.000000 0.750001 0.249950 Cu\n0.000000 0.250000 0.750049 Cu\n0.250030 0.500079 0.373135 S\n0.749970 0.999922 0.373135 S\n0.749970 0.499922 0.626865 S\n0.750031 0.999922 0.873135 S\n0.750031 0.499922 0.126865 S\n0.249970 0.000079 0.126865 S\n0.249970 0.500079 0.873135 S\n0.250030 0.000079 0.626865 S\n","nsites":24,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":2.899226306135925,"density_atomic":0.07054410703107376,"volume":340.21268409320584,"volume_molar":8.536702799777911,"formula_full":"Li12 Cu4 S8","formula_reduced":"Li3CuS2","formula_anonymous":"AB2C3","energy_above_hull":0.8216084083333335,"spacegroup":137},{"id":"jvasp-59117","created_at":"2022-09-04T14:38:13.577055Z","updated_at":"2022-09-04T14:38:13.577080Z","structure_string":"Na12 B4 O12\n1.0\n0.000000 5.692641 -0.003559\n7.458093 0.000000 0.000000\n0.000000 -5.320242 -8.009287\nNa B O\n12 4 12\ndirect\n0.400275 0.220150 0.776340 Na\n0.599726 0.720150 0.723660 Na\n0.599726 0.779850 0.223660 Na\n0.400274 0.279850 0.276340 Na\n0.791868 0.473952 0.045167 Na\n0.208132 0.973952 0.454834 Na\n0.208132 0.526047 0.954834 Na\n0.791868 0.026048 0.545167 Na\n0.954175 0.849463 0.070323 Na\n0.045825 0.349463 0.429677 Na\n0.045825 0.150537 0.929678 Na\n0.954176 0.650537 0.570323 Na\n0.720152 0.339938 0.653672 B\n0.279849 0.839938 0.846329 B\n0.279849 0.660061 0.346328 B\n0.720151 0.160061 0.153672 B\n0.941023 0.146758 0.130026 O\n0.058977 0.646757 0.369974 O\n0.058977 0.853242 0.869974 O\n0.941024 0.353242 0.630026 O\n0.485267 0.266406 0.047021 O\n0.514734 0.766406 0.452979 O\n0.514734 0.733594 0.952979 O\n0.485267 0.233594 0.547022 O\n0.747364 0.082713 0.293941 O\n0.252636 0.582713 0.206059 O\n0.252636 0.917287 0.706059 O\n0.747365 0.417287 0.793942 O\n","nsites":28,"nelements":3,"elements":["Na","B","O"],"chemical_system":"B-Na-O","density":2.4948884535695988,"density_atomic":0.08230804064741622,"volume":340.18547616682895,"volume_molar":7.316588649943819,"formula_full":"Na12 B4 O12","formula_reduced":"Na3BO3","formula_anonymous":"AB3C3","energy_above_hull":1.2552971547619052,"spacegroup":14},{"id":"jvasp-112983","created_at":"2022-09-04T14:38:46.217241Z","updated_at":"2022-09-04T14:38:46.217268Z","structure_string":"Mg4 B2 P4 O20\n1.0\n6.449753 0.026968 0.683877\n0.888793 6.388278 0.683877\n-0.043789 -0.038280 8.252881\nMg B P O\n4 2 4 20\ndirect\n0.918608 0.765144 0.331907 Mg\n0.539294 0.136044 0.343452 Mg\n0.234856 0.081391 0.668093 Mg\n0.863956 0.460706 0.656548 Mg\n0.725030 0.727545 0.976153 B\n0.272455 0.274969 0.023848 B\n0.323962 0.540751 0.741650 P\n0.459248 0.676038 0.258350 P\n0.025456 0.245944 0.322684 P\n0.754055 0.974545 0.677317 P\n0.460489 0.185314 0.097786 O\n0.301292 0.478278 0.931573 O\n0.521722 0.698708 0.068428 O\n0.183427 0.410960 0.666734 O\n0.258229 0.773933 0.711208 O\n0.515795 0.446747 0.320735 O\n0.814685 0.539511 0.902214 O\n0.249559 0.117536 0.919892 O\n0.882464 0.750442 0.080109 O\n0.857269 0.780392 0.589646 O\n0.090673 0.318868 0.141004 O\n0.681131 0.909328 0.858996 O\n0.923488 0.446646 0.402401 O\n0.907442 0.133423 0.679897 O\n0.219609 0.142730 0.410355 O\n0.866576 0.092558 0.320104 O\n0.589039 0.816574 0.333267 O\n0.553253 0.484205 0.679265 O\n0.553354 0.076511 0.597600 O\n0.226067 0.741770 0.288793 O\n","nsites":30,"nelements":4,"elements":["Mg","B","P","O"],"chemical_system":"B-Mg-O-P","density":2.7468586968259414,"density_atomic":0.08818855559011406,"volume":340.1801945757574,"volume_molar":6.828710051664665,"formula_full":"Mg4 B2 P4 O20","formula_reduced":"Mg2B(PO5)2","formula_anonymous":"AB2C2D10","energy_above_hull":2.573071778888889,"spacegroup":5},{"id":"jvasp-12825","created_at":"2022-09-04T14:37:07.970059Z","updated_at":"2022-09-04T14:37:07.970087Z","structure_string":"Na12 B4 O12\n1.0\n5.686726 0.000000 -0.258605\n0.000000 7.457900 0.000000\n-0.012613 0.000000 8.021148\nNa B O\n12 4 12\ndirect\n0.376074 0.220175 0.776294 Na\n0.123927 0.720175 0.723707 Na\n0.623927 0.779825 0.223707 Na\n0.876074 0.279825 0.276294 Na\n0.253290 0.473946 0.045138 Na\n0.246710 0.973946 0.454863 Na\n0.746711 0.526054 0.954863 Na\n0.753291 0.026054 0.545138 Na\n0.116159 0.849478 0.070380 Na\n0.383841 0.349478 0.429620 Na\n0.883842 0.150522 0.929621 Na\n0.616160 0.650522 0.570381 Na\n0.933519 0.339927 0.653624 B\n0.566483 0.839927 0.846377 B\n0.066482 0.660073 0.346377 B\n0.433519 0.160073 0.153624 B\n0.189012 0.146784 0.129952 O\n0.310989 0.646784 0.370048 O\n0.810989 0.853216 0.870048 O\n0.689012 0.353216 0.629953 O\n0.561784 0.266444 0.046996 O\n0.938217 0.766444 0.453005 O\n0.438217 0.733556 0.953005 O\n0.061784 0.233556 0.546995 O\n0.546534 0.082700 0.293900 O\n0.953467 0.582700 0.206101 O\n0.453467 0.917300 0.706101 O\n0.046534 0.417300 0.793899 O\n","nsites":28,"nelements":3,"elements":["Na","B","O"],"chemical_system":"B-Na-O","density":2.4950690494593077,"density_atomic":0.08231399862674378,"volume":340.1608531614064,"volume_molar":7.316059067070287,"formula_full":"Na12 B4 O12","formula_reduced":"Na3BO3","formula_anonymous":"AB3C3","energy_above_hull":1.2552985833333337,"spacegroup":14},{"id":"jvasp-13416","created_at":"2022-09-04T14:37:11.551517Z","updated_at":"2022-09-04T14:37:11.551537Z","structure_string":"Nd2 Ta6 O18\n1.0\n0.000000 5.427392 -0.001852\n7.587986 0.000000 0.000000\n0.000000 -0.347700 -8.259451\nNd Ta O\n2 6 18\ndirect\n0.033288 0.750000 0.434944 Nd\n0.966711 0.250000 0.565056 Nd\n0.526584 0.492700 0.300577 Ta\n0.473416 0.992700 0.699422 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.526584 0.007301 0.300577 Ta\n0.473416 0.507301 0.699422 Ta\n0.319694 0.448521 0.120229 O\n0.680305 0.948521 0.879771 O\n0.680305 0.551480 0.879771 O\n0.319694 0.051480 0.120229 O\n0.848027 0.942547 0.213956 O\n0.151972 0.442547 0.786043 O\n0.151972 0.057453 0.786043 O\n0.848027 0.557453 0.213956 O\n0.651258 0.250000 0.339600 O\n0.265705 0.038854 0.466497 O\n0.348742 0.750000 0.660400 O\n0.265705 0.461146 0.466497 O\n0.909968 0.250000 0.016927 O\n0.090031 0.750000 0.983073 O\n0.561478 0.250000 0.689509 O\n0.438522 0.750000 0.310490 O\n0.734295 0.538854 0.533503 O\n0.734295 0.961147 0.533503 O\n","nsites":26,"nelements":3,"elements":["Nd","Ta","O"],"chemical_system":"Nd-O-Ta","density":8.11422262433594,"density_atomic":0.07643604673382516,"volume":340.15364623108184,"volume_molar":7.878665913964685,"formula_full":"Nd2 Ta6 O18","formula_reduced":"NdTa3O9","formula_anonymous":"AB3C9","energy_above_hull":3.8597200461538455,"spacegroup":11},{"id":"jvasp-58902","created_at":"2022-09-04T14:37:00.271376Z","updated_at":"2022-09-04T14:37:00.271406Z","structure_string":"Nd2 Ta6 O18\n1.0\n0.000000 5.427409 -0.001854\n7.587940 0.000000 0.000000\n0.000000 -0.347692 -8.259442\nNd Ta O\n2 6 18\ndirect\n0.033287 0.750000 0.434951 Nd\n0.966713 0.250000 0.565048 Nd\n0.526594 0.492699 0.300573 Ta\n0.473406 0.992699 0.699426 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.526594 0.007301 0.300573 Ta\n0.473406 0.507301 0.699426 Ta\n0.319706 0.448526 0.120219 O\n0.680294 0.948526 0.879780 O\n0.680294 0.551474 0.879780 O\n0.319706 0.051474 0.120219 O\n0.848036 0.942540 0.213957 O\n0.151965 0.442540 0.786042 O\n0.151965 0.057460 0.786042 O\n0.848036 0.557460 0.213957 O\n0.651267 0.250000 0.339606 O\n0.265705 0.038847 0.466495 O\n0.348734 0.750000 0.660394 O\n0.265705 0.461153 0.466495 O\n0.909982 0.250000 0.016941 O\n0.090018 0.750000 0.983058 O\n0.561477 0.250000 0.689502 O\n0.438524 0.750000 0.310497 O\n0.734295 0.538847 0.533504 O\n0.734295 0.961153 0.533504 O\n","nsites":26,"nelements":3,"elements":["Nd","Ta","O"],"chemical_system":"Nd-O-Ta","density":8.114255117703692,"density_atomic":0.07643635282162815,"volume":340.1522840928006,"volume_molar":7.878634364009055,"formula_full":"Nd2 Ta6 O18","formula_reduced":"NdTa3O9","formula_anonymous":"AB3C9","energy_above_hull":3.859721584615384,"spacegroup":11},{"id":"jvasp-119656","created_at":"2022-09-04T14:38:36.634687Z","updated_at":"2022-09-04T14:38:36.634707Z","structure_string":"K1 In5 S8\n1.0\n9.565362 -0.004696 2.149086\n8.772005 3.814197 2.149086\n-0.016688 -0.003467 9.307388\nK In S\n1 5 8\ndirect\n0.517699 0.517698 0.512601 K\n0.999853 0.999853 0.000811 In\n0.715144 0.715143 0.663012 In\n0.286934 0.286933 0.338402 In\n0.357457 0.357456 0.899257 In\n0.643162 0.643163 0.099964 In\n0.934199 0.934198 0.775596 S\n0.066179 0.066179 0.224174 S\n0.586308 0.586307 0.877807 S\n0.413663 0.413663 0.121542 S\n0.237902 0.237901 0.847683 S\n0.762218 0.762218 0.154062 S\n0.163543 0.163542 0.525431 S\n0.836731 0.836731 0.476145 S\n","nsites":14,"nelements":3,"elements":["K","In","S"],"chemical_system":"In-K-S","density":4.246369754317811,"density_atomic":0.041164527168113696,"volume":340.09864713919245,"volume_molar":14.629442323984202,"formula_full":"K1 In5 S8","formula_reduced":"KIn5S8","formula_anonymous":"AB5C8","energy_above_hull":0.9853312749999998,"spacegroup":8},{"id":"jvasp-33317","created_at":"2022-09-04T14:36:48.720818Z","updated_at":"2022-09-04T14:36:48.720839Z","structure_string":"B4 H16 O8 F12\n1.0\n5.450083 0.000000 0.046970\n0.000000 7.260109 0.000000\n0.116340 0.000000 8.595550\nB H O F\n4 16 8 12\ndirect\n0.263625 0.305807 0.918625 B\n0.736375 0.805807 0.581375 B\n0.736375 0.694193 0.081375 B\n0.263625 0.194193 0.418625 B\n0.168277 0.936673 0.840873 H\n0.168277 0.563327 0.340873 H\n0.831722 0.063327 0.159127 H\n0.910783 0.225683 0.657817 H\n0.089217 0.725683 0.842183 H\n0.089217 0.774318 0.342183 H\n0.910783 0.274317 0.157817 H\n0.831722 0.436673 0.659127 H\n0.374845 0.739290 0.181773 H\n0.374845 0.760710 0.681773 H\n0.625154 0.260710 0.818227 H\n0.615562 0.282483 0.515193 H\n0.384437 0.782483 0.984807 H\n0.384437 0.717517 0.484807 H\n0.615562 0.217517 0.015193 H\n0.625154 0.239290 0.318228 H\n0.767502 0.308721 0.664468 O\n0.232498 0.808721 0.835532 O\n0.767502 0.191279 0.164468 O\n0.232498 0.691280 0.335532 O\n0.481991 0.772505 0.085691 O\n0.481991 0.727495 0.585691 O\n0.518008 0.227495 0.914309 O\n0.518008 0.272505 0.414309 O\n0.906348 0.841186 0.102809 F\n0.244663 0.431831 0.797070 F\n0.755337 0.931831 0.702930 F\n0.755337 0.568169 0.202930 F\n0.244663 0.068169 0.297070 F\n0.216433 0.385997 0.065163 F\n0.783567 0.885997 0.434837 F\n0.783567 0.614003 0.934837 F\n0.216433 0.114003 0.565163 F\n0.093651 0.158814 0.897191 F\n0.906348 0.658815 0.602809 F\n0.093651 0.341186 0.397191 F\n","nsites":40,"nelements":4,"elements":["B","H","O","F"],"chemical_system":"B-F-H-O","density":2.0281075938135937,"density_atomic":0.1176225864656628,"volume":340.070739829183,"volume_molar":5.119884659021696,"formula_full":"B4 H16 O8 F12","formula_reduced":"BH4O2F3","formula_anonymous":"AB2C3D4","energy_above_hull":2.110804043083334,"spacegroup":14}]}