{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=60","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=58","results":[{"id":"jvasp-113645","created_at":"2022-09-04T14:38:48.487339Z","updated_at":"2022-09-04T14:38:48.487365Z","structure_string":"Na1 Al1 H4\n1.0\n3.372831 0.000000 0.000000\n0.000000 3.372831 0.000000\n0.000000 0.000000 5.785178\nNa Al H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.201910 H\n0.500000 0.500000 0.798091 H\n","nsites":6,"nelements":3,"elements":["Na","Al","H"],"chemical_system":"Al-H-Na","density":1.3625788461157287,"density_atomic":0.09116861614947562,"volume":65.8121210281693,"volume_molar":6.605497609096525,"formula_full":"Na1 Al1 H4","formula_reduced":"NaAlH4","formula_anonymous":"ABC4","energy_above_hull":2.0568319666666675,"spacegroup":123},{"id":"jvasp-7784","created_at":"2022-09-04T14:37:05.190248Z","updated_at":"2022-09-04T14:37:05.190265Z","structure_string":"Li2 C2\n1.0\n3.216099 0.000000 1.615259\n1.430055 3.567921 1.162029\n-0.003115 -0.023998 4.015575\nLi C\n2 2\ndirect\n0.762298 0.737704 0.737705 Li\n0.237706 0.262295 0.262295 Li\n0.000002 0.869584 0.130415 C\n0.000002 0.130415 0.869585 C\n","nsites":4,"nelements":2,"elements":["Li","C"],"chemical_system":"C-Li","density":1.364404449987143,"density_atomic":0.08671133095429381,"volume":46.1300726903665,"volume_molar":6.945044775260473,"formula_full":"Li2 C2","formula_reduced":"LiC","formula_anonymous":"AB","energy_above_hull":2.1714450000000003,"spacegroup":71},{"id":"jvasp-119407","created_at":"2022-09-04T14:38:32.620168Z","updated_at":"2022-09-04T14:38:32.620197Z","structure_string":"Ca1 B2 H10 N2\n1.0\n5.009719 0.110219 0.296338\n3.128358 3.914436 0.296338\n0.034065 0.016847 6.305270\nCa B H N\n1 2 10 2\ndirect\n0.448141 0.551859 0.000000 Ca\n0.790020 0.865404 0.216345 B\n0.134596 0.209981 0.783655 B\n0.571960 0.693486 0.423527 H\n0.306515 0.428040 0.576474 H\n0.630778 0.060258 0.682559 H\n0.939743 0.369222 0.317442 H\n0.037052 0.807327 0.305283 H\n0.192673 0.962949 0.694718 H\n0.836361 0.469940 0.742814 H\n0.530061 0.163638 0.257187 H\n0.849511 0.857592 0.020415 H\n0.142408 0.150490 0.979585 H\n0.716369 0.616333 0.284247 N\n0.383667 0.283631 0.715754 N\n","nsites":15,"nelements":4,"elements":["Ca","B","H","N"],"chemical_system":"B-Ca-H-N","density":1.364699553712922,"density_atomic":0.12353215077252823,"volume":121.42587906221239,"volume_molar":4.874958237462533,"formula_full":"Ca1 B2 H10 N2","formula_reduced":"CaB2(H5N)2","formula_anonymous":"AB2C2D10","energy_above_hull":3.658692139111112,"spacegroup":5},{"id":"jvasp-104146","created_at":"2022-09-04T14:37:09.729718Z","updated_at":"2022-09-04T14:37:09.729736Z","structure_string":"H12 C14\n1.0\n3.798644 0.005315 0.632746\n0.161166 5.251467 1.217908\n0.084045 -0.024208 10.968496\nH C\n12 14\ndirect\n-0.000200 0.437998 0.246114 H\n0.759889 0.389205 0.469898 H\n0.326672 0.294471 0.872241 H\n0.060426 0.597571 0.724086 H\n0.249467 0.638919 0.544565 H\n0.820491 0.548771 0.947869 H\n0.493113 0.692118 0.321714 H\n0.525765 0.709504 0.120382 H\n0.116130 0.832343 0.079837 H\n0.703962 0.154337 0.114140 H\n0.570206 0.347635 0.649376 H\n0.294354 0.277190 0.073579 H\n0.554093 0.916821 0.928760 C\n0.627470 0.169370 0.713005 C\n0.056756 0.261386 0.311769 C\n0.423349 0.108558 0.126460 C\n0.983638 0.009507 0.528618 C\n0.836353 0.977157 0.665348 C\n0.396742 0.878131 0.067508 C\n0.763413 0.725340 0.882205 C\n0.192383 0.817249 0.480951 C\n0.900018 0.753658 0.754071 C\n0.330556 0.846666 0.352970 C\n0.920137 0.233061 0.439904 C\n0.265966 0.069866 0.265207 C\n0.489347 0.139970 0.840989 C\n","nsites":26,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.3690232540489242,"density_atomic":0.11892458829032626,"volume":218.6259408065147,"volume_molar":5.063831497400997,"formula_full":"H12 C14","formula_reduced":"H6C7","formula_anonymous":"A6B7","energy_above_hull":5.4491007692307685,"spacegroup":2},{"id":"jvasp-113688","created_at":"2022-09-04T14:38:43.369699Z","updated_at":"2022-09-04T14:38:43.369733Z","structure_string":"Al1 Sb1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nAl Sb O\n1 1 1\ndirect\n-0.039519 -0.009639 0.000000 Al\n0.000457 0.331254 0.000000 Sb\n0.247893 0.000757 0.000000 O\n","nsites":3,"nelements":3,"elements":["Al","Sb","O"],"chemical_system":"Al-O-Sb","density":1.3691207558086085,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Al1 Sb1 O1","formula_reduced":"AlSbO","formula_anonymous":"ABC","energy_above_hull":2.0026841333333336,"spacegroup":6},{"id":"jvasp-121255","created_at":"2022-09-04T14:38:52.994590Z","updated_at":"2022-09-04T14:38:52.994609Z","structure_string":"Na2 P1\n1.0\n4.368121 0.000000 0.000000\n0.000000 3.022740 0.000000\n0.000000 0.000000 7.061291\nNa P\n2 1\ndirect\n-0.033341 0.000000 0.767735 Na\n-0.033341 0.000000 0.232265 Na\n0.466683 0.000000 0.000000 P\n","nsites":3,"nelements":2,"elements":["Na","P"],"chemical_system":"Na-P","density":1.3705560040460019,"density_atomic":0.03217671413162495,"volume":93.23512611411877,"volume_molar":18.715835107852502,"formula_full":"Na2 P1","formula_reduced":"Na2P","formula_anonymous":"AB2","energy_above_hull":0.5017378333333333,"spacegroup":47},{"id":"jvasp-62691","created_at":"2022-09-04T14:36:11.039293Z","updated_at":"2022-09-04T14:36:11.039319Z","structure_string":"Li2 B2\n1.0\n5.393429 -1.527266 -0.004295\n5.393429 1.527266 -0.004295\n4.963031 -0.000000 2.605757\nLi B\n2 2\ndirect\n0.914881 0.914881 0.914888 Li\n0.085116 0.085116 0.085117 Li\n0.666755 0.666755 0.666760 B\n0.333243 0.333243 0.333245 B\n","nsites":4,"nelements":2,"elements":["Li","B"],"chemical_system":"B-Li","density":1.371275166247321,"density_atomic":0.09303754027363183,"volume":42.99339802229979,"volume_molar":6.472807366024875,"formula_full":"Li2 B2","formula_reduced":"LiB","formula_anonymous":"AB","energy_above_hull":1.6104162916666669,"spacegroup":166},{"id":"jvasp-116131","created_at":"2022-09-04T14:38:41.302563Z","updated_at":"2022-09-04T14:38:41.302578Z","structure_string":"Li2 P1 H1\n1.0\n2.121185 1.224667 3.562253\n-2.121185 1.224667 3.562253\n-0.000000 -2.449334 3.562253\nLi P H\n2 1 1\ndirect\n0.278886 0.278886 0.278885 Li\n0.722096 0.722096 0.722093 Li\n0.979523 0.979523 0.979519 P\n0.112492 0.112492 0.112491 H\n","nsites":4,"nelements":3,"elements":["Li","P","H"],"chemical_system":"H-Li-P","density":1.3716573353059534,"density_atomic":0.07204227474313832,"volume":55.5229552962024,"volume_molar":8.359176305122958,"formula_full":"Li2 P1 H1","formula_reduced":"Li2PH","formula_anonymous":"ABC2","energy_above_hull":1.617848875,"spacegroup":160},{"id":"jvasp-112005","created_at":"2022-09-04T14:38:41.637272Z","updated_at":"2022-09-04T14:38:41.637299Z","structure_string":"H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n","nsites":50,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.3727700770996043,"density_atomic":0.11403839604427166,"volume":438.4488184189222,"volume_molar":5.280801001148861,"formula_full":"H22 C26 N2","formula_reduced":"H11C13N","formula_anonymous":"AB11C13","energy_above_hull":5.71794693,"spacegroup":1},{"id":"jvasp-35989","created_at":"2022-09-04T14:37:20.066674Z","updated_at":"2022-09-04T14:37:20.066693Z","structure_string":"Li2 B2\n1.0\n1.999094 -3.462532 0.000000\n1.999094 3.462532 -0.000000\n-0.000000 -0.000000 3.100869\nLi B\n2 2\ndirect\n0.333332 0.666666 0.750000 Li\n0.666666 0.333332 0.250000 Li\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n","nsites":4,"nelements":2,"elements":["Li","B"],"chemical_system":"B-Li","density":1.3733649388262796,"density_atomic":0.0931793260400945,"volume":42.92797737428176,"volume_molar":6.462958057250499,"formula_full":"Li2 B2","formula_reduced":"LiB","formula_anonymous":"AB","energy_above_hull":1.5956012916666666,"spacegroup":194},{"id":"jvasp-118406","created_at":"2022-09-04T14:38:49.716510Z","updated_at":"2022-09-04T14:38:49.716520Z","structure_string":"H2 F1\n1.0\n4.346595 1.161851 0.571589\n0.955999 -2.940304 -0.327463\n-1.789197 -1.866218 -2.260552\nH F\n2 1\ndirect\n0.690867 0.027168 0.875547 H\n0.684153 0.041692 0.578622 H\n0.687672 0.034293 0.227325 F\n","nsites":3,"nelements":2,"elements":["H","F"],"chemical_system":"F-H","density":1.3738701081945834,"density_atomic":0.11811450956885465,"volume":25.399081035434982,"volume_molar":5.098561372334534,"formula_full":"H2 F1","formula_reduced":"H2F","formula_anonymous":"AB2","energy_above_hull":1.3940900941666667,"spacegroup":12},{"id":"jvasp-101830","created_at":"2022-09-04T14:36:38.541923Z","updated_at":"2022-09-04T14:36:38.541943Z","structure_string":"H14 C16 S2 N2\n1.0\n6.249302 0.082152 -0.229426\n-2.997568 6.024268 -0.374806\n-0.192560 0.132657 9.504110\nH C S N\n14 16 2 2\ndirect\n0.680835 0.337072 0.057473 H\n0.156450 0.131652 0.689601 H\n0.156449 0.131652 0.189601 H\n0.346900 0.250592 0.381679 H\n0.516245 0.649283 0.567989 H\n0.516245 0.649283 0.067989 H\n0.179730 0.560054 0.385583 H\n0.346900 0.250591 0.881679 H\n0.864594 0.234858 0.731864 H\n0.864593 0.234859 0.231864 H\n0.692136 -0.028102 0.793621 H\n0.692135 -0.028102 0.293621 H\n0.680836 0.337072 0.557473 H\n0.179731 0.560055 0.885583 H\n0.792912 0.056485 0.705689 C\n0.011144 0.842967 0.284657 C\n0.011146 0.842967 0.784657 C\n0.384830 0.116415 0.417861 C\n0.384829 0.116416 0.917860 C\n0.573272 0.165997 0.519507 C\n0.573271 0.165998 0.019507 C\n0.792916 0.056484 0.205689 C\n0.292554 0.730480 0.922627 C\n0.237791 0.897047 0.869740 C\n0.619581 -0.001353 0.576654 C\n0.619579 -0.001354 0.076654 C\n0.292555 0.730480 0.422628 C\n0.479483 0.779904 0.524570 C\n0.479482 0.779903 0.024569 C\n0.237789 0.897046 0.369739 C\n0.774016 0.606312 0.802245 S\n0.774017 0.606313 0.302245 S\n-0.001182 0.003691 0.206679 N\n-0.001182 0.003691 0.706678 N\n","nsites":34,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.3754213229034546,"density_atomic":0.0943689806354327,"volume":360.2878803083524,"volume_molar":6.381483321585089,"formula_full":"H14 C16 S2 N2","formula_reduced":"H7C8SN","formula_anonymous":"ABC7D8","energy_above_hull":5.40474725,"spacegroup":1}]}