HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=11",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=9",
"results": [
{
"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-24242",
"created_at": "2022-09-04T14:37:54.798642Z",
"updated_at": "2022-09-04T14:37:54.798668Z",
"structure_string": "Er8 Ge8 Bi8 O40\n1.0\n5.352384 0.000000 0.000000\n0.000000 11.030700 0.000000\n0.000000 0.000000 15.357065\nEr Ge Bi O\n8 8 8 40\ndirect\n0.012171 0.858611 0.554098 Er\n0.512171 0.141389 0.945901 Er\n0.487828 0.358611 0.445901 Er\n0.487828 0.858611 0.054098 Er\n0.987828 0.141389 0.445901 Er\n0.512171 0.641389 0.554098 Er\n0.012171 0.358611 0.945901 Er\n0.987828 0.641389 0.054098 Er\n0.505390 0.097610 0.595230 Ge\n0.494609 0.402390 0.095231 Ge\n0.005390 0.902390 0.904769 Ge\n0.994609 0.097610 0.095231 Ge\n0.994609 0.597610 0.404769 Ge\n0.505390 0.597610 0.904769 Ge\n0.005390 0.402390 0.595230 Ge\n0.494609 0.902390 0.404769 Ge\n0.962671 0.644981 0.738198 Bi\n0.037328 0.855019 0.238198 Bi\n0.962671 0.144981 0.761802 Bi\n0.462671 0.355019 0.761802 Bi\n0.537328 0.144981 0.261802 Bi\n0.037328 0.355019 0.261802 Bi\n0.537328 0.644981 0.238198 Bi\n0.462671 0.855019 0.738198 Bi\n0.696058 0.024929 0.373860 O\n0.350598 0.193169 0.520579 O\n0.253034 0.734546 0.650455 O\n0.064034 0.330927 0.698658 O\n0.301813 0.959319 0.938924 O\n0.649401 0.306831 0.020580 O\n0.149401 0.193169 0.020580 O\n0.564034 0.669073 0.801342 O\n0.698187 0.540681 0.438925 O\n0.303941 0.975071 0.626140 O\n0.301813 0.459319 0.561075 O\n0.196059 0.475071 0.373860 O\n0.564034 0.169073 0.698658 O\n0.803941 0.524929 0.626140 O\n0.350598 0.693169 0.979420 O\n0.149401 0.693169 0.479420 O\n0.753034 0.265454 0.849545 O\n0.303941 0.475071 0.873860 O\n0.649401 0.806831 0.479420 O\n0.935965 0.169073 0.198658 O\n0.753034 0.765454 0.650455 O\n0.196059 0.975071 0.126140 O\n0.253034 0.234546 0.849545 O\n0.696058 0.524929 0.126140 O\n0.746965 0.765454 0.150455 O\n0.198187 0.959319 0.438925 O\n0.935965 0.669073 0.301342 O\n0.801812 0.040681 0.561075 O\n0.435966 0.830927 0.301342 O\n0.198187 0.459319 0.061075 O\n0.746965 0.265454 0.349545 O\n0.801812 0.540681 0.938924 O\n0.064034 0.830927 0.801342 O\n0.246966 0.234546 0.349545 O\n0.850598 0.306831 0.520579 O\n0.850598 0.806831 0.979420 O\n0.435966 0.330927 0.198658 O\n0.803941 0.024929 0.873860 O\n0.698187 0.040681 0.061075 O\n0.246966 0.734546 0.150455 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Er",
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Er-Ge-O",
"density": 7.7488046597355,
"density_atomic": 0.07058646201463677,
"volume": 906.6894440286438,
"volume_molar": 8.531580402416616,
"formula_full": "Er8 Ge8 Bi8 O40",
"formula_reduced": "ErGeBiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.9022272187499996,
"spacegroup": 61
},
{
"id": "jvasp-32781",
"created_at": "2022-09-04T14:37:51.357010Z",
"updated_at": "2022-09-04T14:37:51.357035Z",
"structure_string": "Al4 B12 H48\n1.0\n5.902817 0.000000 0.000000\n0.000000 5.902740 0.000000\n0.000000 0.000000 17.489135\nAl B H\n4 12 48\ndirect\n0.798701 0.833465 0.138037 Al\n0.298701 0.166535 0.861964 Al\n0.798701 0.666535 0.638037 Al\n0.298701 0.333465 0.361964 Al\n0.400468 0.508632 0.259035 B\n0.400468 0.991368 0.759035 B\n0.464533 0.043651 0.408846 B\n0.964533 0.543651 0.091154 B\n0.464533 0.456349 0.908846 B\n0.964533 0.956349 0.591154 B\n0.006516 0.039287 0.921128 B\n0.506516 0.960713 0.078872 B\n0.006516 0.460713 0.421128 B\n0.900468 0.491368 0.740965 B\n0.506516 0.539287 0.578872 B\n0.900468 0.008632 0.240965 B\n0.016360 0.002974 0.179665 H\n0.491464 0.244435 0.434091 H\n0.491464 0.255565 0.934092 H\n0.516404 0.424530 0.210276 H\n0.365842 0.424560 0.610041 H\n0.489231 0.912388 0.012538 H\n0.692575 0.432210 0.585727 H\n0.989231 0.412388 0.487462 H\n0.489231 0.587612 0.512538 H\n0.830770 0.449310 0.050171 H\n0.016360 0.497026 0.679665 H\n0.991465 0.755565 0.565909 H\n0.512601 0.773446 0.114951 H\n0.726807 0.617330 0.735765 H\n0.512601 0.726554 0.614951 H\n0.880417 0.949721 0.658358 H\n0.380417 0.449721 0.841643 H\n0.226807 0.117330 0.764235 H\n0.880417 0.550279 0.158358 H\n0.192575 0.567790 0.414273 H\n0.152240 0.469517 0.099317 H\n0.833378 0.199488 0.248145 H\n0.016403 0.924530 0.289724 H\n0.865843 0.924560 0.889960 H\n0.333378 0.800512 0.751855 H\n0.012601 0.226554 0.885049 H\n0.152240 0.030483 0.599317 H\n0.192575 0.932210 0.914274 H\n0.516360 0.502974 0.320335 H\n0.833378 0.300512 0.748145 H\n0.692575 0.067790 0.085727 H\n0.726807 0.882670 0.235765 H\n0.012601 0.273446 0.385049 H\n0.226807 0.382670 0.264235 H\n0.330770 0.550690 0.949829 H\n0.333378 0.699488 0.251855 H\n0.365842 0.075440 0.110041 H\n0.989231 0.087612 0.987462 H\n0.652240 0.969517 0.400683 H\n0.516404 0.075470 0.710276 H\n0.380417 0.050279 0.341642 H\n0.016403 0.575470 0.789724 H\n0.865843 0.575440 0.389959 H\n0.330770 0.949310 0.449829 H\n0.830770 0.050690 0.550171 H\n0.652240 0.530483 0.900683 H\n0.516360 0.997026 0.820336 H\n0.991465 0.744435 0.065909 H\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Al",
"B",
"H"
],
"chemical_system": "Al-B-H",
"density": 0.7794593330382318,
"density_atomic": 0.10502644618649001,
"volume": 609.3703283681381,
"volume_molar": 5.7339279568755455,
"formula_full": "Al4 B12 H48",
"formula_reduced": "Al(BH4)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 3.580274409375,
"spacegroup": 33
},
{
"id": "jvasp-97684",
"created_at": "2022-09-04T14:35:51.702767Z",
"updated_at": "2022-09-04T14:35:51.702788Z",
"structure_string": "K8 Cr8 P8 O32 F8\n1.0\n6.343661 0.000000 0.000000\n0.000000 10.560044 0.000000\n0.000000 0.000000 12.748799\nK Cr P O F\n8 8 8 32 8\ndirect\n0.804154 0.192097 0.604725 K\n0.195846 0.692097 0.395276 K\n0.304154 0.692097 0.895276 K\n0.695846 0.192097 0.104724 K\n0.775056 0.945972 0.382145 K\n0.224944 0.445972 0.617855 K\n0.275056 0.445972 0.117855 K\n0.724944 0.945972 0.882145 K\n0.747311 0.499745 0.752697 Cr\n0.252689 -0.000255 0.247303 Cr\n0.000150 0.247999 0.886083 Cr\n0.500150 0.747998 0.613917 Cr\n0.499850 0.247999 0.386083 Cr\n0.247311 -0.000255 0.747303 Cr\n0.752689 0.499745 0.252697 Cr\n0.999850 0.747998 0.113917 Cr\n0.675105 0.498670 0.500004 P\n0.324895 0.998670 0.499997 P\n0.824895 0.498670 0.000003 P\n0.503392 0.748030 0.182144 P\n0.496608 0.248030 0.817856 P\n0.996608 0.748030 0.682144 P\n0.003392 0.248030 0.317856 P\n0.175105 0.998670 0.999997 P\n0.043410 0.861120 0.756672 O\n0.543410 0.361120 0.743328 O\n0.956590 0.361120 0.243328 O\n0.035865 0.877953 0.010158 O\n0.458014 0.134211 0.742508 O\n0.964135 0.377953 0.989842 O\n0.464135 0.877953 0.510158 O\n0.535865 0.377953 0.489842 O\n0.016937 0.110037 0.986952 O\n0.983063 0.610037 0.013048 O\n0.483063 0.110037 0.486952 O\n0.693484 0.775370 0.110035 O\n0.516937 0.610037 0.513048 O\n0.189769 0.717875 0.611566 O\n0.689769 0.217875 0.888435 O\n0.310231 0.717875 0.111566 O\n0.193485 0.275370 0.389965 O\n0.806515 0.775370 0.610035 O\n0.306515 0.275370 0.889965 O\n0.810231 0.217875 0.388435 O\n0.819935 0.518646 0.404258 O\n0.180065 0.018647 0.595742 O\n0.680065 0.518646 0.904258 O\n0.958014 0.634211 0.757492 O\n0.041986 0.134211 0.242508 O\n0.312916 0.982286 0.900604 O\n0.541986 0.634211 0.257492 O\n0.319935 0.018647 0.095742 O\n0.687084 0.482286 0.099396 O\n0.187084 0.982286 0.400604 O\n0.812916 0.482286 0.599397 O\n0.456590 0.861120 0.256672 O\n0.019197 0.119699 0.773079 F\n0.519197 0.619699 0.726921 F\n0.527924 0.373787 0.272444 F\n0.472075 0.873787 0.727556 F\n0.972075 0.373787 0.772444 F\n0.027925 0.873787 0.227556 F\n0.980803 0.619699 0.226921 F\n0.480803 0.119699 0.273079 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"K",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-K-O-P",
"density": 3.189729760957002,
"density_atomic": 0.07493850169188875,
"volume": 854.0336216373444,
"volume_molar": 8.036110442613545,
"formula_full": "K8 Cr8 P8 O32 F8",
"formula_reduced": "KCrPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 2.0681406478125,
"spacegroup": 33
},
{
"id": "jvasp-112208",
"created_at": "2022-09-04T14:38:44.361853Z",
"updated_at": "2022-09-04T14:38:44.361878Z",
"structure_string": "H36 C28\n1.0\n8.430374 0.000000 -3.405586\n0.000000 5.243231 0.000000\n-0.117156 0.000000 11.703117\nH C\n36 28\ndirect\n0.480407 0.248953 0.427571 H\n0.851711 0.693579 0.606665 H\n0.148289 0.306421 0.393334 H\n0.148288 0.193579 0.893334 H\n0.851711 0.806421 0.106665 H\n0.740240 0.885518 0.468987 H\n0.259759 0.114482 0.531013 H\n0.259760 0.385518 0.031013 H\n0.740240 0.614482 0.968987 H\n0.045493 0.058519 0.691704 H\n0.954506 0.941481 0.308296 H\n0.954506 0.558519 0.808296 H\n0.935314 0.247472 0.553133 H\n0.064685 0.752527 0.446867 H\n0.064685 0.747472 0.946867 H\n0.935314 0.252527 0.053133 H\n0.879813 0.380239 0.355564 H\n0.120186 0.619761 0.644436 H\n0.045493 0.441481 0.191704 H\n0.879813 0.119761 0.855564 H\n0.120186 0.880239 0.144436 H\n0.519592 0.751047 0.572429 H\n0.519592 0.748953 0.072429 H\n0.635332 0.468922 0.452439 H\n0.364668 0.531078 0.547561 H\n0.364668 0.968922 0.047561 H\n0.635331 0.031078 0.952439 H\n0.480407 0.251047 0.927571 H\n0.436811 0.653021 0.233612 H\n0.436811 0.846979 0.733612 H\n0.563188 0.153021 0.266388 H\n0.737004 0.868343 0.795728 H\n0.262995 0.131657 0.204271 H\n0.262995 0.368343 0.704271 H\n0.563188 0.346979 0.766388 H\n0.737004 0.631657 0.295728 H\n0.773153 0.441060 0.276563 C\n0.783624 0.083006 0.647541 C\n0.216376 0.916994 0.352458 C\n0.216375 0.583006 0.852458 C\n0.783624 0.416994 0.147541 C\n0.184472 0.382713 0.932585 C\n0.184472 0.117287 0.432585 C\n0.815527 0.617287 0.067414 C\n0.931076 0.101107 0.617909 C\n0.226846 0.558940 0.723437 C\n0.068924 0.898893 0.382091 C\n0.815527 0.882712 0.567414 C\n0.226846 0.941060 0.223437 C\n0.353344 0.734660 0.387161 C\n0.638674 0.246146 0.225802 C\n0.361325 0.753854 0.774198 C\n0.361326 0.746146 0.274198 C\n0.638673 0.253854 0.725802 C\n0.646655 0.234660 0.112839 C\n0.353344 0.765340 0.887161 C\n0.646655 0.265340 0.612839 C\n0.553830 0.106614 0.993618 C\n0.446169 0.893386 0.006382 C\n0.446169 0.606614 0.506382 C\n0.553831 0.393386 0.493618 C\n0.068923 0.601107 0.882091 C\n0.773153 0.058940 0.776563 C\n0.931076 0.398893 0.117909 C\n",
"nsites": 64,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2008463195748105,
"density_atomic": 0.12422025844241791,
"volume": 515.2138693196093,
"volume_molar": 4.847953816479583,
"formula_full": "H36 C28",
"formula_reduced": "H9C7",
"formula_anonymous": "A7B9",
"energy_above_hull": 5.1042875,
"spacegroup": 14
},
{
"id": "jvasp-98932",
"created_at": "2022-09-04T14:35:46.208492Z",
"updated_at": "2022-09-04T14:35:46.208517Z",
"structure_string": "Na8 H16 S8 O32\n1.0\n6.416399 0.000000 -0.000000\n0.000000 10.639703 0.000000\n0.000000 0.000000 10.516697\nNa H S O\n8 16 8 32\ndirect\n0.563744 0.059440 0.653774 Na\n0.063744 0.440560 0.846226 Na\n0.436256 0.559440 0.346226 Na\n0.936256 0.940560 0.153774 Na\n0.436256 0.940560 0.346226 Na\n0.936256 0.559440 0.153774 Na\n0.563744 0.440560 0.653774 Na\n0.063744 0.059440 0.846226 Na\n0.215940 0.124719 0.227165 H\n0.715940 0.375281 0.272835 H\n0.784060 0.624719 0.772835 H\n0.284060 0.875281 0.727165 H\n0.784060 0.875281 0.772835 H\n0.284060 0.624719 0.727165 H\n0.215940 0.375281 0.227165 H\n0.715940 0.124719 0.272835 H\n0.681021 0.568224 0.895347 H\n0.818979 0.431775 0.395347 H\n0.181021 0.931775 0.604653 H\n0.681021 0.931775 0.895347 H\n0.181021 0.568224 0.604653 H\n0.318979 0.431775 0.104653 H\n0.818979 0.068225 0.395347 H\n0.318979 0.068225 0.104653 H\n0.992396 0.250000 0.591667 S\n0.507605 0.750000 0.091667 S\n0.492396 0.250000 0.908333 S\n0.007605 0.750000 0.408333 S\n0.246278 0.750000 0.954479 S\n0.253722 0.250000 0.454479 S\n0.753722 0.250000 0.045521 S\n0.746279 0.750000 0.545521 S\n0.620282 0.866508 0.061647 O\n0.120282 0.633491 0.438353 O\n0.379718 0.366508 0.938353 O\n0.879718 0.133492 0.561647 O\n0.585390 0.250000 0.780473 O\n0.085390 0.250000 0.719527 O\n0.914610 0.750000 0.280473 O\n0.756153 0.044835 0.313541 O\n0.256153 0.455165 0.186459 O\n0.243847 0.544835 0.686459 O\n0.743847 0.955165 0.813541 O\n0.243847 0.955165 0.686459 O\n0.743847 0.544835 0.813541 O\n0.414610 0.750000 0.219527 O\n0.120282 0.866508 0.438353 O\n0.879718 0.366508 0.561647 O\n0.379718 0.133492 0.938353 O\n0.856937 0.750000 0.668817 O\n0.356937 0.750000 0.831184 O\n0.143063 0.250000 0.331183 O\n0.643063 0.250000 0.168817 O\n0.370590 0.134151 0.478367 O\n0.870590 0.365849 0.021633 O\n0.629410 0.634151 0.521633 O\n0.129410 0.865849 0.978367 O\n0.629410 0.865849 0.521633 O\n0.129410 0.634151 0.978367 O\n0.370590 0.365849 0.478367 O\n0.870590 0.134151 0.021633 O\n0.756153 0.455165 0.313541 O\n0.620282 0.633491 0.061647 O\n0.256153 0.044835 0.186459 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Na",
"H",
"S",
"O"
],
"chemical_system": "H-Na-O-S",
"density": 2.240108828732642,
"density_atomic": 0.08914146041913357,
"volume": 717.9599672147941,
"volume_molar": 6.755712472831993,
"formula_full": "Na8 H16 S8 O32",
"formula_reduced": "NaH2SO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.147715375,
"spacegroup": 62
},
{
"id": "jvasp-97974",
"created_at": "2022-09-04T14:36:07.189061Z",
"updated_at": "2022-09-04T14:36:07.189081Z",
"structure_string": "Y16 Si8 S12 O28\n1.0\n-5.852067 -5.852067 -6.822206\n-5.852067 5.852067 6.822206\n-5.852067 5.852067 -6.822206\nY Si S O\n16 8 12 28\ndirect\n0.985560 0.644318 0.841242 Y\n0.594166 0.297083 0.452918 Y\n0.094166 0.047083 0.202917 Y\n0.750000 0.047083 0.547083 Y\n0.250000 0.952918 0.452917 Y\n0.905835 0.952918 0.797083 Y\n0.750000 0.702918 0.202917 Y\n0.405835 0.702918 0.547083 Y\n0.250000 0.297083 0.797083 Y\n0.985560 0.341242 0.673199 Y\n0.514441 0.341242 0.144318 Y\n0.014441 0.355683 0.158758 Y\n0.514441 0.173199 0.841242 Y\n0.014441 0.658759 0.326801 Y\n0.485559 0.658758 0.855683 Y\n0.485559 0.826801 0.158758 Y\n0.374991 0.470898 0.404093 Si\n0.874991 0.095907 0.029102 Si\n0.625010 0.095907 0.279084 Si\n0.125009 0.220917 0.404093 Si\n0.125009 0.904093 0.970899 Si\n0.374991 0.904093 0.720917 Si\n0.874991 0.779084 0.595908 Si\n0.625010 0.529102 0.595908 Si\n0.750000 0.375000 0.875001 S\n0.750000 0.875000 0.375000 S\n0.250000 0.125000 0.625000 S\n0.250000 0.625000 0.125000 S\n0.853823 0.353823 0.500000 S\n0.353823 0.353823 -0.000000 S\n0.146177 0.500000 0.853823 S\n0.853823 0.500000 0.146177 S\n0.646177 0.646177 -0.000000 S\n0.146177 0.646177 0.500000 S\n0.353823 -0.000000 0.146177 S\n0.646177 -0.000000 0.853823 S\n0.767660 0.917884 0.067580 O\n0.982907 0.809008 0.673900 O\n0.482907 0.826101 0.690993 O\n0.017093 0.826101 0.156806 O\n0.517093 0.343194 0.673900 O\n0.517093 0.173899 0.309007 O\n0.485464 0.917884 0.349777 O\n0.982907 0.173899 0.843194 O\n0.482907 0.656806 0.326101 O\n0.750000 0.600204 0.649797 O\n0.250000 0.850204 0.899797 O\n0.017093 0.190993 0.326101 O\n0.267660 0.432420 0.582117 O\n0.732340 0.164760 0.349777 O\n0.014536 0.164760 0.067580 O\n0.985464 0.150224 0.582117 O\n0.232340 0.150224 0.335240 O\n0.232340 0.082116 0.932420 O\n0.514537 0.082116 0.650224 O\n0.732340 0.567580 0.417884 O\n0.485464 0.567580 0.664760 O\n0.985464 0.835240 0.932420 O\n0.267660 0.835240 0.650224 O\n0.014536 0.849777 0.417884 O\n0.767660 0.849777 0.664760 O\n0.250000 0.399797 0.350204 O\n0.514537 0.432420 0.335240 O\n0.750000 0.149797 0.100203 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Y",
"Si",
"S",
"O"
],
"chemical_system": "O-S-Si-Y",
"density": 4.406431380285309,
"density_atomic": 0.06848202190769598,
"volume": 934.551846121934,
"volume_molar": 8.793754320100229,
"formula_full": "Y16 Si8 S12 O28",
"formula_reduced": "Y4Si2S3O7",
"formula_anonymous": "A2B3C4D7",
"energy_above_hull": 2.96179959375,
"spacegroup": 141
},
{
"id": "jvasp-97328",
"created_at": "2022-09-04T14:36:02.397288Z",
"updated_at": "2022-09-04T14:36:02.397313Z",
"structure_string": "K8 Si8 Sb8 O40\n1.0\n6.522980 0.000000 0.000000\n0.000000 10.746569 0.000000\n0.000000 0.000000 13.123108\nK Si Sb O\n8 8 8 40\ndirect\n0.804066 0.062139 0.607414 K\n0.304066 0.562139 0.892587 K\n0.695934 0.062139 0.107414 K\n0.774269 0.307917 0.382074 K\n0.274269 0.807917 0.117927 K\n0.725730 0.307917 0.882074 K\n0.225731 0.807917 0.617927 K\n0.195934 0.562139 0.392587 K\n0.004086 0.001341 0.318641 Si\n0.824815 0.750722 0.000510 Si\n0.324816 0.250722 0.499491 Si\n0.675184 0.750722 0.500510 Si\n0.175184 0.250722 -0.000510 Si\n0.504086 0.501341 0.181359 Si\n0.495914 0.001341 0.818641 Si\n0.995914 0.501341 0.681359 Si\n0.500811 0.001332 0.381830 Sb\n0.753739 0.749599 0.252895 Sb\n0.246261 0.249599 0.747105 Sb\n0.746261 0.749599 0.752895 Sb\n0.253739 0.249599 0.247105 Sb\n0.000811 0.501332 0.118170 Sb\n-0.000811 0.001332 0.881830 Sb\n0.499189 0.501332 0.618170 Sb\n0.198710 0.973516 0.393982 O\n0.325558 0.232300 0.098364 O\n0.825558 0.732300 0.401636 O\n0.174442 0.232300 0.598364 O\n0.681318 0.766519 0.102427 O\n0.318682 0.266519 0.897573 O\n0.818682 0.766519 0.602427 O\n0.181318 0.266519 0.397573 O\n0.530429 0.874821 0.272481 O\n0.533536 0.877422 0.492487 O\n0.469571 0.374821 0.727519 O\n0.969571 0.874821 0.772481 O\n0.030429 0.374821 0.227519 O\n0.482446 0.131897 0.274321 O\n0.517554 0.631897 0.725679 O\n0.017554 0.131897 0.774321 O\n0.982446 0.631897 0.225679 O\n0.957907 0.886203 0.239292 O\n0.042093 0.386203 0.760708 O\n0.542093 0.886203 0.739292 O\n0.457907 0.386203 0.260708 O\n0.042805 0.117228 0.238478 O\n0.957195 0.617228 0.761522 O\n0.033536 0.377422 0.007513 O\n0.457195 0.117228 0.738478 O\n0.542805 0.617228 0.261522 O\n0.801290 0.473516 0.606018 O\n0.301290 0.973516 0.893982 O\n0.698710 0.473516 0.106018 O\n0.806919 0.033186 0.391804 O\n0.193081 0.533186 0.608197 O\n0.693081 0.033186 0.891804 O\n0.306919 0.533186 0.108196 O\n0.487678 0.134858 0.488235 O\n0.512322 0.634858 0.511765 O\n0.012322 0.134858 0.988235 O\n0.987678 0.634858 0.011765 O\n0.466464 0.377422 0.507513 O\n0.674442 0.732300 0.901636 O\n0.966464 0.877422 0.992487 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"K",
"Si",
"Sb",
"O"
],
"chemical_system": "K-O-Sb-Si",
"density": 3.883677826125578,
"density_atomic": 0.06957086330821191,
"volume": 919.9253388084039,
"volume_molar": 8.65612481092953,
"formula_full": "K8 Si8 Sb8 O40",
"formula_reduced": "KSiSbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.0306375249999995,
"spacegroup": 33
},
{
"id": "jvasp-95246",
"created_at": "2022-09-04T14:35:51.436469Z",
"updated_at": "2022-09-04T14:35:51.436493Z",
"structure_string": "H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.8274653658681372,
"density_atomic": 0.1205190596399378,
"volume": 531.036337249943,
"volume_molar": 4.996836830615606,
"formula_full": "H24 C12 N16 O12",
"formula_reduced": "H6C3N4O3",
"formula_anonymous": "A3B3C4D6",
"energy_above_hull": 4.75093646875,
"spacegroup": 15
},
{
"id": "jvasp-97677",
"created_at": "2022-09-04T14:35:41.785390Z",
"updated_at": "2022-09-04T14:35:41.785420Z",
"structure_string": "Rb8 Ge4 B16 O36\n1.0\n6.603533 0.000000 -0.041575\n0.000000 9.955903 0.000000\n0.004471 0.000000 13.206224\nRb Ge B O\n8 4 16 36\ndirect\n0.777785 0.376118 0.118705 Rb\n0.222214 0.876118 0.881294 Rb\n0.253198 0.655067 0.116903 Rb\n0.746801 0.155067 0.883097 Rb\n0.771156 0.154723 0.366097 Rb\n0.228844 0.654723 0.633903 Rb\n0.706816 0.430867 0.626349 Rb\n0.293183 0.930867 0.373651 Rb\n0.243916 0.158387 0.616054 Ge\n0.756084 0.658387 0.383945 Ge\n0.741412 0.647504 0.870574 Ge\n0.258587 0.147504 0.129425 Ge\n0.130123 0.349814 0.754660 B\n0.869877 0.849814 0.245339 B\n0.046340 0.462489 0.426179 B\n0.953660 0.962489 0.573821 B\n0.340290 0.342328 0.983410 B\n0.503880 0.960530 0.678078 B\n0.496119 0.460530 0.321921 B\n0.659709 0.842328 0.016589 B\n0.192482 0.322432 0.291747 B\n0.068152 0.481208 0.908715 B\n0.931847 0.981208 0.091284 B\n0.652908 0.821528 0.544652 B\n0.347092 0.321528 0.455347 B\n0.399974 0.485458 0.836751 B\n0.600025 0.985458 0.163248 B\n0.807517 0.822432 0.708252 B\n0.732022 0.740292 0.625809 O\n0.521148 0.407344 0.417449 O\n0.478852 0.907343 0.582550 O\n0.024769 0.414197 0.329623 O\n0.975230 0.914197 0.670376 O\n0.189224 0.417780 0.493931 O\n0.810775 0.917779 0.506068 O\n0.988688 0.395218 0.821881 O\n0.325458 0.394696 0.750802 O\n0.011311 0.895218 0.178118 O\n0.358034 0.414634 0.252576 O\n0.641965 0.914634 0.747424 O\n0.520115 0.894811 0.082043 O\n0.479884 0.394811 0.917957 O\n0.267977 0.240292 0.374191 O\n0.674541 0.894696 0.249198 O\n0.232499 0.565602 0.874127 O\n0.584373 0.741744 0.954615 O\n0.562194 0.565099 0.793476 O\n0.938091 0.752896 0.314273 O\n0.061909 0.252896 0.685726 O\n0.415627 0.241744 0.045384 O\n0.856854 0.885114 0.010554 O\n0.575270 0.740047 0.459422 O\n0.424729 0.240047 0.540577 O\n0.918347 0.562009 0.463958 O\n0.081653 0.062009 0.536041 O\n0.098931 0.056362 0.046375 O\n0.901069 0.556361 0.953624 O\n0.618650 0.566827 0.289618 O\n0.381349 0.066827 0.710381 O\n0.104278 0.243933 0.210066 O\n0.895722 0.743933 0.789933 O\n0.437806 0.065099 0.206523 O\n0.767501 0.065602 0.125872 O\n0.143145 0.385114 0.989445 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-O-Rb",
"density": 3.2958125578086563,
"density_atomic": 0.07371288002506271,
"volume": 868.2336109814148,
"volume_molar": 8.169726590458065,
"formula_full": "Rb8 Ge4 B16 O36",
"formula_reduced": "Rb2GeB4O9",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 2.8547042364583333,
"spacegroup": 4
},
{
"id": "jvasp-88338",
"created_at": "2022-09-04T14:35:42.196510Z",
"updated_at": "2022-09-04T14:35:42.196536Z",
"structure_string": "P4 H32 C8 N4 O16\n1.0\n-5.287343 5.287343 5.063998\n5.287343 -5.287343 5.063998\n5.287343 5.287343 -5.063998\nP H C N O\n4 32 8 4 16\ndirect\n0.946682 0.311270 0.745488 P\n0.565782 0.201194 0.254511 P\n0.798806 0.053318 0.364588 P\n0.688730 0.434218 0.635411 P\n0.760981 0.642234 0.159701 H\n0.482533 0.601281 0.840299 H\n0.486117 0.502861 0.304267 H\n0.198594 0.181849 0.695733 H\n0.818151 0.513883 0.016745 H\n0.497139 0.801405 0.983255 H\n0.130791 0.035702 0.879276 H\n0.398718 0.239019 0.881252 H\n0.964298 0.843575 0.095089 H\n0.089716 0.415632 0.170617 H\n0.245016 0.919098 0.829383 H\n0.080902 0.910284 0.325917 H\n0.584368 0.754984 0.674083 H\n0.156425 0.251514 0.120723 H\n0.357766 0.517467 0.118747 H\n0.748486 0.869209 0.904911 H\n0.251777 0.768370 0.265787 H\n0.548101 0.793941 0.394190 H\n0.399750 0.153910 0.605809 H\n0.846089 0.451899 0.245840 H\n0.206059 0.600249 0.754160 H\n0.316819 0.361038 0.446921 H\n0.502583 0.985989 0.734212 H\n0.130103 0.683181 0.044220 H\n0.914117 0.869897 0.553078 H\n0.086198 0.267119 0.348318 H\n0.918800 0.737880 0.651681 H\n0.262120 0.913802 0.180919 H\n0.732881 0.081200 0.819080 H\n0.231630 0.497417 0.483406 H\n0.014011 0.748223 0.516593 H\n0.638961 0.085883 0.955780 H\n0.612742 0.832384 0.810852 C\n0.021532 0.801889 0.189147 C\n0.198111 0.387258 0.219642 C\n0.167616 0.978468 0.780358 C\n0.873421 0.623790 0.152535 C\n0.279114 0.126579 0.750368 C\n0.376211 0.528745 0.249631 C\n0.471255 0.720885 0.847465 C\n0.210754 0.380046 0.385837 N\n0.994211 0.824917 0.614162 N\n0.175083 0.789246 0.169294 N\n0.619953 0.005789 0.830706 N\n0.336474 0.053450 0.628487 O\n0.424963 0.707988 0.371513 O\n0.827961 0.632686 0.757237 O\n0.875448 0.070722 0.242762 O\n0.367314 0.124552 0.195274 O\n0.929278 0.172039 0.804725 O\n0.495868 0.356723 0.602636 O\n0.755561 0.308755 0.696640 O\n0.643277 0.245914 0.139145 O\n0.106768 0.504131 0.860854 O\n0.612114 0.058921 0.303359 O\n0.691245 0.387886 0.446806 O\n0.941079 0.244439 0.553193 O\n0.946550 0.575037 0.283023 O\n0.754087 0.893232 0.397363 O\n0.292012 0.663525 0.716976 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P",
"density": 1.6546024486005346,
"density_atomic": 0.11301900707877015,
"volume": 566.2764313209221,
"volume_molar": 5.3284318413829155,
"formula_full": "P4 H32 C8 N4 O16",
"formula_reduced": "PH8C2NO4",
"formula_anonymous": "ABC2D4E8",
"energy_above_hull": 3.879463296875,
"spacegroup": 82
},
{
"id": "jvasp-95245",
"created_at": "2022-09-04T14:35:48.297532Z",
"updated_at": "2022-09-04T14:35:48.297559Z",
"structure_string": "P4 H36 N8 O16\n1.0\n10.102689 0.000000 -4.337388\n0.000000 6.685844 0.000000\n0.007068 0.000000 7.953184\nP H N O\n4 36 8 16\ndirect\n0.248278 0.605667 0.930565 P\n0.751722 0.105667 0.569434 P\n0.751722 0.394333 0.069434 P\n0.248278 0.894333 0.430566 P\n0.175471 0.103504 0.683635 H\n0.824530 0.603503 0.816364 H\n0.824530 0.896496 0.316365 H\n0.175471 0.396496 0.183635 H\n0.121113 0.974576 0.827641 H\n0.878888 0.474576 0.672358 H\n0.878888 0.025424 0.172358 H\n0.833111 0.720436 0.630891 H\n0.374353 0.222695 0.118110 H\n0.833111 0.779563 0.130892 H\n0.166889 0.279563 0.369108 H\n0.024507 0.159919 0.687274 H\n0.975493 0.659919 0.812725 H\n0.975493 0.840080 0.312725 H\n0.024507 0.340081 0.187274 H\n0.166889 0.220436 0.869108 H\n0.625647 0.722693 0.381890 H\n0.121113 0.525423 0.327642 H\n0.374354 0.277305 0.618110 H\n0.176375 0.633845 0.621092 H\n0.823626 0.133846 0.878907 H\n0.823626 0.366154 0.378907 H\n0.176374 0.866154 0.121093 H\n0.521171 0.334749 0.608089 H\n0.478829 0.834748 0.891911 H\n0.478829 0.665251 0.391911 H\n0.625647 0.777306 0.881889 H\n0.521171 0.165251 0.108089 H\n0.414654 0.525583 0.609338 H\n0.585346 0.025584 0.890661 H\n0.585346 0.474416 0.390661 H\n0.414654 0.974416 0.109338 H\n0.499986 0.381515 0.801582 H\n0.500014 0.881515 0.698417 H\n0.500014 0.618484 0.198417 H\n0.499986 0.118484 0.301583 H\n0.878209 0.886183 0.232364 N\n0.878209 0.613816 0.732364 N\n0.121791 0.386183 0.267636 N\n0.121791 0.113816 0.767635 N\n0.548736 0.615973 0.340969 N\n0.548736 0.884027 0.840968 N\n0.451265 0.384027 0.659031 N\n0.451265 0.115973 0.159031 N\n0.863527 0.239221 0.557372 O\n0.136473 0.739220 0.942627 O\n0.378188 0.775451 0.487901 O\n0.621812 0.275451 0.012099 O\n0.621812 0.224549 0.512098 O\n0.378188 0.724548 0.987901 O\n0.262693 0.087665 0.541636 O\n0.737308 0.587665 0.958363 O\n0.262693 0.412334 0.041636 O\n0.202631 0.969937 0.224353 O\n0.797370 0.469937 0.275647 O\n0.797370 0.030062 0.775647 O\n0.202631 0.530062 0.724352 O\n0.863527 0.260779 0.057372 O\n0.737308 0.912334 0.458363 O\n0.136473 0.760779 0.442628 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6321799266571664,
"density_atomic": 0.11909130361003603,
"volume": 537.4027998683072,
"volume_molar": 5.056742665039148,
"formula_full": "P4 H36 N8 O16",
"formula_reduced": "PH9(NO2)2",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 3.530119125,
"spacegroup": 14
}
]
}