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=17",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=15",
"results": [
{
"id": "jvasp-97777",
"created_at": "2022-09-04T14:35:41.721512Z",
"updated_at": "2022-09-04T14:35:41.721539Z",
"structure_string": "Na4 Nd4 Ga16 S32\n1.0\n11.373009 0.022414 -3.159427\n-6.560341 9.290198 -3.159427\n-0.002250 -0.004354 11.846427\nNa Nd Ga S\n4 4 16 32\ndirect\n0.378501 0.621500 0.750000 Na\n0.128501 0.871499 0.250000 Na\n0.621499 0.378501 0.250000 Na\n0.871499 0.128501 0.750000 Na\n0.625000 0.375000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.875000 0.125000 0.250000 Nd\n0.125000 0.875001 0.750000 Nd\n0.468652 0.968879 0.609908 Ga\n0.531348 0.031121 0.390092 Ga\n0.641257 0.641029 0.609908 Ga\n0.031121 0.531349 0.890092 Ga\n0.358971 0.358744 0.890092 Ga\n0.358744 0.358971 0.390092 Ga\n0.866797 0.861452 0.978139 Ga\n0.883312 0.388658 0.521860 Ga\n0.138549 0.133203 0.521861 Ga\n0.611343 0.116688 0.978140 Ga\n0.133203 0.138549 0.021860 Ga\n0.116688 0.611343 0.478140 Ga\n0.861452 0.866797 0.478139 Ga\n0.388658 0.883312 0.021860 Ga\n0.641029 0.641256 0.109908 Ga\n0.968879 0.468652 0.109908 Ga\n0.149893 0.152295 0.834107 S\n0.318188 0.815786 0.665893 S\n0.091701 0.419225 0.004844 S\n0.586857 0.414381 0.995156 S\n0.908299 0.580776 0.995156 S\n0.847706 0.850108 0.665893 S\n0.184214 0.681813 0.834107 S\n0.345451 0.840303 0.186505 S\n0.653798 0.658945 0.313494 S\n0.414380 0.586857 0.495156 S\n0.580776 0.908299 0.495156 S\n0.413143 0.585620 0.004844 S\n0.078008 0.406370 0.494720 S\n0.911649 0.083287 0.005279 S\n0.593631 0.921992 0.005279 S\n0.916713 0.088351 0.494720 S\n0.921993 0.593631 0.505279 S\n0.088351 0.916713 0.994721 S\n0.406370 0.078008 0.994721 S\n0.083288 0.911649 0.505280 S\n0.850107 0.847706 0.165893 S\n0.681813 0.184214 0.334107 S\n0.152294 0.149893 0.334107 S\n0.815786 0.318187 0.165893 S\n0.658945 0.653798 0.813494 S\n0.840303 0.345451 0.686505 S\n0.346203 0.341055 0.686506 S\n0.419225 0.091701 0.504844 S\n0.341055 0.346202 0.186505 S\n0.159697 0.654550 0.313494 S\n0.585620 0.413143 0.504844 S\n0.654549 0.159697 0.813494 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ga",
"S"
],
"chemical_system": "Ga-Na-Nd-S",
"density": 3.7244391569180846,
"density_atomic": 0.04468941016875565,
"volume": 1253.0932896302152,
"volume_molar": 13.475543170651079,
"formula_full": "Na4 Nd4 Ga16 S32",
"formula_reduced": "NaNd(GaS2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.1841714142857145,
"spacegroup": 70
},
{
"id": "jvasp-22035",
"created_at": "2022-09-04T14:37:36.072589Z",
"updated_at": "2022-09-04T14:37:36.072614Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n11.598408 0.015575 -3.104224\n-6.741207 9.438190 -3.104224\n-0.020966 -0.040807 12.123452\nSr Ga S\n8 16 32\ndirect\n0.875000 0.124999 0.250000 Sr\n0.873064 0.623064 0.246131 Sr\n0.376935 0.126935 0.253870 Sr\n0.126935 0.376935 0.753869 Sr\n0.124999 0.875000 0.750000 Sr\n0.624999 0.374999 0.750000 Sr\n0.375000 0.625000 0.250000 Sr\n0.623064 0.873064 0.746131 Sr\n0.888141 0.863131 0.998955 Ga\n0.864177 0.389187 0.501045 Ga\n0.136868 0.111858 0.501045 Ga\n0.610812 0.135822 0.998955 Ga\n0.111858 0.136868 0.001045 Ga\n0.135822 0.610812 0.498955 Ga\n0.389187 0.864178 0.001045 Ga\n0.863131 0.888141 0.498956 Ga\n0.360064 0.467926 0.500368 Ga\n0.967558 0.359696 0.999632 Ga\n0.467927 0.360064 0.000368 Ga\n0.359696 0.967559 0.499633 Ga\n0.639935 0.532073 0.499632 Ga\n0.032441 0.640303 0.000368 Ga\n0.532072 0.639935 0.999632 Ga\n0.640303 0.032440 0.500368 Ga\n0.084476 0.583780 0.665881 S\n0.081404 0.082101 0.665881 S\n0.416219 0.915523 0.834119 S\n0.917898 0.918595 0.834119 S\n0.812432 0.154590 0.997839 S\n0.082101 0.081404 0.165881 S\n0.156751 0.314594 0.502161 S\n0.845409 0.187566 0.502161 S\n0.685404 0.843248 0.997839 S\n0.187567 0.845410 0.002161 S\n0.843248 0.685405 0.497839 S\n0.154590 0.812433 0.497839 S\n0.314595 0.156751 0.002161 S\n0.152390 0.341622 0.002171 S\n0.339450 0.650219 0.497829 S\n0.658378 0.847609 0.497829 S\n0.349780 0.660549 0.002171 S\n0.583780 0.084476 0.165881 S\n0.847609 0.658378 0.997829 S\n0.341621 0.152390 0.502171 S\n0.650219 0.339450 0.997829 S\n0.582159 0.082245 0.666502 S\n0.415742 0.415656 0.833497 S\n0.917754 0.417840 0.833498 S\n0.584342 0.584256 0.666503 S\n0.417840 0.917754 0.333498 S\n0.584257 0.584343 0.166503 S\n0.082245 0.582159 0.166503 S\n0.415657 0.415743 0.333498 S\n0.915523 0.416219 0.334119 S\n0.660549 0.349780 0.502171 S\n0.918595 0.917899 0.334120 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"S"
],
"chemical_system": "Ga-S-Sr",
"density": 3.5612084212466573,
"density_atomic": 0.04224928341044348,
"volume": 1325.4662678173972,
"volume_molar": 14.253829352550401,
"formula_full": "Sr8 Ga16 S32",
"formula_reduced": "Sr(GaS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.81797728,
"spacegroup": 70
},
{
"id": "jvasp-30157",
"created_at": "2022-09-04T14:36:49.512165Z",
"updated_at": "2022-09-04T14:36:49.512191Z",
"structure_string": "Fe4 H24 S4 O24\n1.0\n6.790771 0.000000 -1.705466\n0.000000 7.735725 0.000000\n0.080695 0.000000 8.928452\nFe H S O\n4 24 4 24\ndirect\n0.837618 0.363130 0.518097 Fe\n0.162381 0.863131 0.981903 Fe\n0.162381 0.636870 0.481903 Fe\n0.837619 0.136870 0.018097 Fe\n0.232840 0.511162 0.984057 H\n0.232840 0.988839 0.484057 H\n0.767159 0.488839 0.015942 H\n0.855038 0.087770 0.374468 H\n0.144961 0.587770 0.125531 H\n0.144961 0.912231 0.625531 H\n0.855038 0.412230 0.874468 H\n0.376668 0.814657 0.252696 H\n0.623331 0.314656 0.247303 H\n0.623331 0.185344 0.747303 H\n0.376668 0.685344 0.752696 H\n0.767159 0.011162 0.515942 H\n0.686138 0.512980 0.244681 H\n0.686138 0.987021 0.744680 H\n0.313861 0.487021 0.755319 H\n0.517856 0.061829 0.131227 H\n0.482144 0.561829 0.368773 H\n0.482143 0.938171 0.868773 H\n0.517856 0.438171 0.631226 H\n0.483957 0.226256 0.016030 H\n0.516043 0.726257 0.483970 H\n0.516043 0.773744 0.983969 H\n0.483956 0.273744 0.516030 H\n0.313861 0.012980 0.255319 H\n0.849189 0.795617 0.195294 S\n0.150811 0.295617 0.304706 S\n0.150810 0.204383 0.804706 S\n0.849189 0.704384 0.695293 S\n0.784518 0.384168 0.955361 O\n0.345575 0.920124 0.185921 O\n0.654425 0.420124 0.314078 O\n0.215481 0.884169 0.544638 O\n0.654424 0.079876 0.814078 O\n0.345575 0.579876 0.685921 O\n0.584717 0.164040 0.098009 O\n0.415282 0.664040 0.401990 O\n0.415282 0.835961 0.901990 O\n0.584717 0.335961 0.598009 O\n0.309846 0.165675 0.386687 O\n0.908383 0.885340 0.053297 O\n0.690153 0.834325 0.613312 O\n0.309846 0.334325 0.886687 O\n0.975805 0.179266 0.235259 O\n0.024195 0.679267 0.264740 O\n0.024194 0.820734 0.764740 O\n0.975805 0.320734 0.735259 O\n0.091617 0.385340 0.446702 O\n0.091617 0.114660 0.946702 O\n0.908382 0.614661 0.553297 O\n0.215482 0.615832 0.044638 O\n0.690153 0.665676 0.113312 O\n0.784518 0.115832 0.455362 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Fe",
"H",
"S",
"O"
],
"chemical_system": "Fe-H-O-S",
"density": 2.6839640068669004,
"density_atomic": 0.11912614582767724,
"volume": 470.0899169608592,
"volume_molar": 5.055263660348224,
"formula_full": "Fe4 H24 S4 O24",
"formula_reduced": "FeH6SO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 3.03880975,
"spacegroup": 14
},
{
"id": "jvasp-97007",
"created_at": "2022-09-04T14:36:12.713594Z",
"updated_at": "2022-09-04T14:36:12.713619Z",
"structure_string": "Na8 Al8 Si8 O32\n1.0\n9.684661 0.042899 -0.132646\n-4.807843 8.298762 0.286809\n-0.128208 0.253348 9.422414\nNa Al Si O\n8 8 8 32\ndirect\n0.496406 -0.060565 0.470928 Na\n0.465586 0.044958 0.973871 Na\n-0.009976 0.424487 0.965858 Na\n0.007727 0.593209 0.496709 Na\n0.443561 0.465056 0.455692 Na\n-0.008629 -0.013644 0.021997 Na\n0.569090 0.513708 0.983559 Na\n-0.015864 -0.007477 0.485103 Na\n0.756813 0.082387 0.196538 Al\n0.665146 0.315239 0.670678 Al\n0.323899 0.660525 0.158273 Al\n0.238048 0.934248 0.664644 Al\n0.323155 0.231298 0.184820 Al\n0.898833 0.647329 0.179054 Al\n0.133662 0.367984 0.680105 Al\n0.681029 0.764957 0.695876 Al\n0.669417 0.791699 0.242243 Si\n0.871338 0.667481 0.750375 Si\n0.124490 0.304720 0.263856 Si\n0.854234 0.138251 0.744774 Si\n0.329668 0.200842 0.757396 Si\n0.179435 0.850504 0.238693 Si\n0.350654 0.701742 0.822536 Si\n0.655711 0.323506 0.333160 Si\n0.283769 0.316283 0.656312 O\n0.828312 0.489113 0.310148 O\n0.051553 0.300298 0.430964 O\n0.527244 0.335942 0.222869 O\n0.949331 0.695192 0.920928 O\n0.316449 0.798805 0.268999 O\n0.961332 0.141510 0.216188 O\n0.146019 0.458223 0.501502 O\n0.032712 0.806942 0.669604 O\n0.842614 0.545537 0.013404 O\n0.817492 0.076291 0.927089 O\n0.516110 0.694899 0.808137 O\n0.844427 0.493241 0.702616 O\n0.669757 0.163114 0.303610 O\n0.121664 0.869872 0.400622 O\n0.260019 0.028265 0.155592 O\n0.268980 0.003662 0.478076 O\n0.193844 0.526786 0.794609 O\n0.351278 0.839903 0.708582 O\n0.747041 0.154774 0.012751 O\n0.594723 0.317359 0.495892 O\n0.718424 0.759808 0.417670 O\n0.296901 0.304663 0.007506 O\n0.489596 0.640027 0.212398 O\n0.521528 0.295162 0.796395 O\n0.149687 0.469031 0.174143 O\n0.588358 0.735635 0.519193 O\n0.834138 0.969947 0.688637 O\n0.229972 0.160699 0.912564 O\n0.700423 0.153591 0.689919 O\n0.800625 0.761870 0.161317 O\n0.342247 0.751114 0.985001 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Na-O-Si",
"density": 2.4877843155226356,
"density_atomic": 0.07382559464470499,
"volume": 758.544516566471,
"volume_molar": 8.157253306231144,
"formula_full": "Na8 Al8 Si8 O32",
"formula_reduced": "NaAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9242049142857145,
"spacegroup": 1
},
{
"id": "jvasp-98034",
"created_at": "2022-09-04T14:35:58.886565Z",
"updated_at": "2022-09-04T14:35:58.886583Z",
"structure_string": "C16 O24 F16\n1.0\n6.280586 0.000000 0.000000\n0.000000 6.818227 0.000000\n0.000000 0.000000 15.832290\nC O F\n16 24 16\ndirect\n0.736516 0.556662 0.604524 C\n0.279249 0.451011 0.266477 C\n0.779249 0.048989 0.733523 C\n0.220752 0.548990 0.766477 C\n0.611816 0.468011 0.334677 C\n0.111815 0.031989 0.665323 C\n0.388185 0.968011 0.165323 C\n0.888185 0.531989 0.834677 C\n0.720752 0.951011 0.233523 C\n0.938895 0.073312 0.970046 C\n0.561106 0.926688 0.470046 C\n0.061105 0.573312 0.529954 C\n0.763485 0.443339 0.104524 C\n0.263485 0.056661 0.895476 C\n0.236516 0.943339 0.395476 C\n0.438895 0.426688 0.029954 C\n0.247205 0.796565 0.355136 O\n0.747205 0.703436 0.644864 O\n0.408194 0.397623 0.332742 O\n0.908194 0.102377 0.667258 O\n0.591807 0.897624 0.167258 O\n0.111452 0.967342 0.944643 O\n0.611453 0.532658 0.055357 O\n0.388548 0.032658 0.444643 O\n0.888548 0.467342 0.555357 O\n0.252795 0.203435 0.855136 O\n0.091807 0.602377 0.832742 O\n0.752796 0.296565 0.144864 O\n0.097022 0.744335 0.537161 O\n0.597022 0.755666 0.462839 O\n0.324595 0.527986 0.201505 O\n0.824595 0.972015 0.798495 O\n0.175406 0.472015 0.701505 O\n0.695957 0.586199 0.290687 O\n0.675406 0.027985 0.298495 O\n0.304043 0.086199 0.209313 O\n0.804044 0.413801 0.790687 O\n0.402978 0.255665 0.037161 O\n0.902979 0.244335 0.962839 O\n0.195957 0.913802 0.709313 O\n0.793486 0.622886 0.899660 F\n0.916295 0.895088 0.211140 F\n0.416294 0.604913 0.788860 F\n0.706514 0.377115 0.399660 F\n0.206514 0.122885 0.600340 F\n0.293486 0.877115 0.100340 F\n0.311683 0.553408 0.989786 F\n0.433487 0.939050 0.899247 F\n0.688318 0.053408 0.510214 F\n0.188318 0.446593 0.489786 F\n0.933487 0.560951 0.100753 F\n0.583706 0.104912 0.711140 F\n0.066514 0.060950 0.399247 F\n0.566514 0.439050 0.600753 F\n0.811683 0.946593 0.010214 F\n0.083706 0.395088 0.288860 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"C",
"O",
"F"
],
"chemical_system": "C-F-O",
"density": 2.1556645522544295,
"density_atomic": 0.08259859648218183,
"volume": 677.9776217151622,
"volume_molar": 7.290851196604892,
"formula_full": "C16 O24 F16",
"formula_reduced": "C2O3F2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.9055144378571427,
"spacegroup": 19
},
{
"id": "jvasp-97598",
"created_at": "2022-09-04T14:36:19.388423Z",
"updated_at": "2022-09-04T14:36:19.388447Z",
"structure_string": "Ca4 Mo20 O32\n1.0\n7.117117 0.000000 -2.601842\n0.000000 9.111452 0.000000\n-0.010052 0.000000 10.024170\nCa Mo O\n4 20 32\ndirect\n0.266444 0.504119 0.523883 Ca\n0.733556 0.004119 0.976117 Ca\n0.733556 0.495881 0.476117 Ca\n0.266444 0.995881 0.023884 Ca\n0.000006 0.622843 0.086820 Mo\n0.383435 0.614833 0.181566 Mo\n0.188469 0.134258 0.699113 Mo\n0.188469 0.365742 0.199112 Mo\n0.811531 0.865742 0.300888 Mo\n0.175962 0.627376 0.886658 Mo\n0.824039 0.372624 0.113343 Mo\n0.824039 0.127376 0.613343 Mo\n0.811531 0.634258 0.800888 Mo\n0.616565 0.114833 0.318434 Mo\n0.616567 0.385167 0.818434 Mo\n0.383435 0.885167 0.681566 Mo\n0.609938 0.614830 0.984213 Mo\n0.390063 0.114829 0.515787 Mo\n0.390063 0.385171 0.015787 Mo\n0.609938 0.885170 0.484213 Mo\n0.000006 0.877157 0.586820 Mo\n-0.000006 0.377156 0.913180 Mo\n0.175962 0.872623 0.386657 Mo\n-0.000006 0.122843 0.413180 Mo\n0.007689 0.720363 0.438119 O\n0.007689 0.779637 0.938118 O\n0.992311 0.220364 0.061881 O\n0.992313 0.279636 0.561882 O\n0.382068 0.501789 0.830635 O\n0.599903 0.508322 0.657061 O\n0.617932 0.001788 0.669365 O\n0.617932 0.498212 0.169365 O\n0.382068 -0.001789 0.330635 O\n0.607426 0.734273 0.331936 O\n0.392576 0.234273 0.168065 O\n0.392576 0.265726 0.668065 O\n0.607426 0.765726 0.831935 O\n0.206313 0.748708 0.719405 O\n0.793687 0.248709 0.780596 O\n0.793687 0.251291 0.280595 O\n0.206313 0.751292 0.219404 O\n0.599903 -0.008322 0.157062 O\n0.799980 0.746131 0.617936 O\n0.200022 0.253869 0.382065 O\n0.799979 0.753869 0.117935 O\n0.399818 0.751514 0.521319 O\n0.600183 0.251513 0.978682 O\n0.600183 0.248486 0.478681 O\n0.399818 0.748486 0.021319 O\n0.984953 0.499527 0.735180 O\n0.015049 -0.000473 0.764821 O\n0.015048 0.500472 0.264821 O\n0.984953 0.000473 0.235180 O\n0.400097 0.008323 0.842939 O\n0.200022 0.246132 0.882066 O\n0.400097 0.491678 0.342939 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 6.62142069818437,
"density_atomic": 0.08618012984358298,
"volume": 649.8017594269127,
"volume_molar": 6.987852966722366,
"formula_full": "Ca4 Mo20 O32",
"formula_reduced": "CaMo5O8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 4.15152628,
"spacegroup": 14
},
{
"id": "jvasp-97536",
"created_at": "2022-09-04T14:35:47.773718Z",
"updated_at": "2022-09-04T14:35:47.773746Z",
"structure_string": "Ho8 H16 C4 O28\n1.0\n6.178644 0.000000 -0.784030\n0.000000 5.971238 0.000000\n0.049260 0.000000 15.390743\nHo H C O\n8 16 4 28\ndirect\n0.591574 0.251863 0.563807 Ho\n0.408425 0.751863 0.936193 Ho\n0.408425 0.748138 0.436193 Ho\n0.591574 0.248137 0.063807 Ho\n0.578277 0.256337 0.817318 Ho\n0.421722 0.756337 0.682682 Ho\n0.421722 0.743664 0.182682 Ho\n0.578277 0.243664 0.317318 Ho\n0.827235 0.003436 0.197483 H\n0.827235 0.496564 0.697483 H\n0.172764 -0.003436 0.802517 H\n0.833511 0.550855 0.214561 H\n0.166488 0.050855 0.285439 H\n0.166488 0.449145 0.785439 H\n0.833511 0.949145 0.714561 H\n0.816553 0.969363 0.945262 H\n0.183447 0.030638 0.054738 H\n0.183447 0.469362 0.554738 H\n0.172764 0.503436 0.302517 H\n0.224674 0.171066 0.422137 H\n0.775326 0.671066 0.077863 H\n0.775326 0.828934 0.577863 H\n0.224674 0.328934 0.922137 H\n0.816553 0.530638 0.445262 H\n0.899803 0.926723 0.383171 C\n0.100196 0.426723 0.116829 C\n0.100196 0.073277 0.616829 C\n0.899803 0.573277 0.883171 C\n0.327579 0.964707 0.810575 O\n0.672420 0.464707 0.689425 O\n0.967417 0.277000 0.083722 O\n0.032582 0.777000 0.416277 O\n0.032582 0.723000 0.916277 O\n0.967417 0.223000 0.583722 O\n0.697230 0.517001 0.237692 O\n0.302769 0.017001 0.262308 O\n0.302769 0.483000 0.762308 O\n0.697230 -0.017001 0.737692 O\n0.676833 0.454882 0.446863 O\n0.323166 0.954882 0.053137 O\n0.323166 0.545118 0.553137 O\n0.676833 0.045118 0.946863 O\n0.622460 0.632552 0.059951 O\n0.622460 0.867449 0.559951 O\n0.377539 0.367449 0.940049 O\n0.957774 0.121550 0.355683 O\n0.042225 0.621550 0.144317 O\n0.042225 0.878450 0.644317 O\n0.957774 0.378450 0.855683 O\n0.691159 0.891584 0.374447 O\n0.308840 0.391584 0.125553 O\n0.308840 0.108417 0.625553 O\n0.691159 0.608417 0.874447 O\n0.327579 0.535293 0.310575 O\n0.377539 0.132551 0.440049 O\n0.672420 0.035293 0.189425 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"H",
"C",
"O"
],
"chemical_system": "C-H-Ho-O",
"density": 5.354084245722853,
"density_atomic": 0.09858129943465149,
"volume": 568.0590570539376,
"volume_molar": 6.108806431378005,
"formula_full": "Ho8 H16 C4 O28",
"formula_reduced": "Ho2H4CO7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 3.020674688095238,
"spacegroup": 14
},
{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"Al",
"Pb",
"O"
],
"chemical_system": "Al-Ho-O-Pb",
"density": 6.107497082627189,
"density_atomic": 0.06532315211657044,
"volume": 857.2764507760879,
"volume_molar": 9.218999030012167,
"formula_full": "Ho4 Al12 Pb8 O32",
"formula_reduced": "HoAl3(PbO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.116383114761905,
"spacegroup": 224
},
{
"id": "jvasp-27075",
"created_at": "2022-09-04T14:38:02.793569Z",
"updated_at": "2022-09-04T14:38:02.793596Z",
"structure_string": "Li4 Al20 O32\n1.0\n7.974386 -0.000000 -0.000000\n-0.000000 7.974386 -0.000000\n0.000000 -0.000000 7.974386\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.881449 0.125000 0.368551 Al\n0.875000 0.868552 0.618552 Al\n0.868552 0.618552 0.875000 Al\n0.752229 0.247772 0.747772 Al\n0.631449 0.381449 0.375000 Al\n0.625000 0.131449 0.118551 Al\n0.618552 0.875000 0.868552 Al\n0.502228 0.002228 0.497772 Al\n0.497772 0.502228 0.002228 Al\n0.747772 0.752229 0.247772 Al\n0.375000 0.631449 0.381449 Al\n0.368551 0.881449 0.125000 Al\n0.252228 0.252228 0.252228 Al\n0.247772 0.747772 0.752229 Al\n0.131449 0.118551 0.625000 Al\n0.125000 0.368551 0.881449 Al\n0.118551 0.625000 0.131449 Al\n0.002228 0.497772 0.502228 Al\n0.997772 0.997772 0.997772 Al\n0.381449 0.375000 0.631449 Al\n0.384717 0.115135 0.132193 O\n0.384866 0.867808 0.884717 O\n0.385422 0.385422 0.385422 O\n0.615135 0.367807 0.615284 O\n0.617808 0.365135 0.134716 O\n0.632193 0.115284 0.884866 O\n0.882193 0.634866 0.634717 O\n0.634866 0.634717 0.882193 O\n0.635422 0.135422 0.364578 O\n0.865135 0.365284 0.382193 O\n0.884717 0.384866 0.867808 O\n0.885422 0.114578 0.614578 O\n0.382193 0.865135 0.365284 O\n0.634717 0.882193 0.634866 O\n0.367807 0.615284 0.615135 O\n0.865284 0.117807 0.134865 O\n0.365135 0.134716 0.617808 O\n0.364578 0.635422 0.135422 O\n0.134865 0.865284 0.117807 O\n0.132193 0.384717 0.115135 O\n0.117807 0.134865 0.865284 O\n0.115284 0.884866 0.632193 O\n0.115135 0.132193 0.384717 O\n0.114578 0.614578 0.885422 O\n0.884866 0.632193 0.115284 O\n0.867808 0.884717 0.384866 O\n0.134716 0.617808 0.365135 O\n0.864579 0.864579 0.864579 O\n0.615284 0.615135 0.367807 O\n0.614578 0.885422 0.114578 O\n0.365284 0.382193 0.865135 O\n0.135422 0.364578 0.635422 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"Al",
"O"
],
"chemical_system": "Al-Li-O",
"density": 3.5345157477947424,
"density_atomic": 0.11043233764277668,
"volume": 507.0978410431478,
"volume_molar": 5.453240317596324,
"formula_full": "Li4 Al20 O32",
"formula_reduced": "LiAl5O8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.2770094285714286,
"spacegroup": 212
},
{
"id": "jvasp-97673",
"created_at": "2022-09-04T14:36:11.200061Z",
"updated_at": "2022-09-04T14:36:11.200077Z",
"structure_string": "Co4 P12 N4 O36\n1.0\n4.845133 -0.000000 0.000000\n0.000000 11.612820 0.000000\n0.000000 0.000000 12.787716\nCo P N O\n4 12 4 36\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.511998 0.577517 0.630642 P\n0.488001 0.077517 0.869358 P\n0.511998 0.922483 0.369358 P\n0.511998 0.577517 0.869358 P\n0.488001 0.422483 0.369358 P\n0.488001 0.077517 0.630642 P\n0.488001 0.422483 0.130642 P\n0.764344 0.250000 0.000000 P\n0.235656 0.750000 0.500000 P\n0.235656 0.750000 0.000000 P\n0.764344 0.250000 0.500000 P\n0.511998 0.922483 0.130642 P\n0.878138 0.803033 0.750000 N\n0.121862 0.196967 0.250000 N\n0.121862 0.303033 0.750000 N\n0.878138 0.696967 0.250000 N\n0.180909 0.442915 0.376596 O\n0.819090 0.557085 0.876596 O\n0.819090 0.942915 0.376596 O\n0.180909 0.057085 0.876596 O\n0.819090 0.557085 0.623405 O\n0.180909 0.442915 0.123405 O\n0.673550 0.987315 0.583281 O\n0.326450 0.012685 0.083280 O\n0.673550 0.512685 0.416720 O\n0.326450 0.012685 0.416720 O\n0.673550 0.987315 0.916720 O\n0.326450 0.487315 0.583281 O\n0.673550 0.512685 0.083280 O\n0.566842 0.094927 0.750000 O\n0.433158 0.905073 0.250000 O\n0.326450 0.487315 0.916720 O\n0.819090 0.942915 0.123405 O\n0.557747 0.295618 0.088384 O\n0.923426 0.151546 0.046442 O\n0.557747 0.204382 0.588384 O\n0.442253 0.795618 0.088384 O\n0.557747 0.295618 0.411616 O\n0.442253 0.704382 0.911616 O\n0.442253 0.795618 0.411616 O\n0.557747 0.204382 0.911616 O\n0.442253 0.704382 0.588384 O\n0.566842 0.405073 0.250000 O\n0.923426 0.348454 0.546442 O\n0.076573 0.651546 0.046442 O\n0.923426 0.151546 0.453558 O\n0.076573 0.848454 0.953558 O\n0.076573 0.651546 0.453558 O\n0.923426 0.348454 0.953558 O\n0.076573 0.848454 0.546442 O\n0.180909 0.057085 0.623405 O\n0.433158 0.594927 0.750000 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Co",
"P",
"N",
"O"
],
"chemical_system": "Co-N-O-P",
"density": 2.8604365055012226,
"density_atomic": 0.07783082732922553,
"volume": 719.509247449204,
"volume_molar": 7.737474939751389,
"formula_full": "Co4 P12 N4 O36",
"formula_reduced": "CoP3NO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 3.3466815821428564,
"spacegroup": 57
},
{
"id": "jvasp-97503",
"created_at": "2022-09-04T14:35:55.964619Z",
"updated_at": "2022-09-04T14:35:55.964645Z",
"structure_string": "H36 Br4 O16\n1.0\n5.981810 -0.000524 -2.779653\n0.000136 12.139243 0.000093\n-0.202031 -0.000215 7.699591\nH Br O\n36 4 16\ndirect\n0.416403 0.341622 -0.003036 H\n0.557429 0.449383 0.549966 H\n0.301486 0.328990 0.565681 H\n0.442602 0.949235 0.450067 H\n0.698488 0.829114 0.434254 H\n0.454239 0.570467 0.893875 H\n0.402900 0.534797 0.665966 H\n0.341599 0.666285 0.710730 H\n0.658248 0.166310 0.289632 H\n0.596774 0.034743 0.333881 H\n0.036454 0.458446 0.046138 H\n0.290477 0.455232 0.385005 H\n0.912170 0.459499 0.180399 H\n0.087595 -0.040633 0.819587 H\n-0.036802 -0.041652 0.953816 H\n0.709563 0.955229 0.615041 H\n-0.061385 0.764438 0.478001 H\n0.710971 0.762222 0.244262 H\n0.545762 0.070571 0.106252 H\n0.289105 0.262141 0.755747 H\n0.253021 0.243391 -0.008890 H\n0.583415 0.841701 0.002960 H\n0.747079 0.743453 0.008896 H\n0.039412 0.289817 0.121461 H\n0.067740 0.156253 0.144411 H\n-0.039563 0.789800 0.878393 H\n-0.067692 0.656260 0.855491 H\n0.586568 0.154076 0.694732 H\n0.821653 0.209743 0.833798 H\n0.413557 0.654064 0.305246 H\n0.178404 0.709757 0.166173 H\n0.726009 0.335021 0.359726 H\n0.747835 0.248400 0.529972 H\n0.273915 0.835086 0.640152 H\n0.252259 0.748355 0.470173 H\n0.061586 0.264391 0.521913 H\n0.573191 0.494562 0.176727 Br\n0.426439 0.994597 0.823110 Br\n0.060850 0.989382 0.271622 Br\n0.939054 0.489405 0.728088 Br\n0.051737 0.433058 0.174942 O\n0.555075 0.097731 0.232890 O\n0.444755 0.597708 0.767191 O\n0.604059 0.945004 0.473474 O\n0.395946 0.445101 0.526577 O\n0.767273 0.761033 0.405271 O\n0.232784 0.260990 0.594857 O\n0.214032 0.761736 0.584072 O\n0.302135 0.708571 0.301275 O\n0.697874 0.208663 0.698734 O\n-0.050085 0.720240 0.942284 O\n0.050046 0.220260 0.057612 O\n0.629477 0.765612 0.052651 O\n0.370295 0.265585 0.947056 O\n0.785907 0.261690 0.415945 O\n-0.052104 -0.067003 0.824956 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 1.8397552016598246,
"density_atomic": 0.10139674730330274,
"volume": 552.2859607368879,
"volume_molar": 5.939185348802451,
"formula_full": "H36 Br4 O16",
"formula_reduced": "H9BrO4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.8226898646428573,
"spacegroup": 4
},
{
"id": "jvasp-25798",
"created_at": "2022-09-04T14:37:39.341825Z",
"updated_at": "2022-09-04T14:37:39.341842Z",
"structure_string": "Tl8 In8 Si8 S32\n1.0\n7.540932 -0.000000 0.000000\n-0.000000 11.941730 0.000000\n0.000000 0.000000 16.779948\nTl In Si S\n8 8 8 32\ndirect\n0.250000 0.362913 0.061475 Tl\n0.250000 0.034221 0.168812 Tl\n0.250000 0.465779 0.668812 Tl\n0.250000 0.137087 0.561475 Tl\n0.750000 0.965779 0.831188 Tl\n0.750000 0.637087 0.938526 Tl\n0.750000 0.862913 0.438525 Tl\n0.750000 0.534221 0.331188 Tl\n0.007304 0.722027 0.151928 In\n0.507304 0.277973 0.848073 In\n0.492696 0.777973 0.651928 In\n0.507304 0.222027 0.348073 In\n0.007304 0.777973 0.651928 In\n0.492696 0.722027 0.151928 In\n0.992696 0.277973 0.848073 In\n0.992696 0.222027 0.348073 In\n0.250000 0.708486 0.831401 Si\n0.750000 0.291514 0.168599 Si\n0.250000 0.819117 0.983143 Si\n0.250000 0.680883 0.483143 Si\n0.750000 0.319117 0.516857 Si\n0.250000 0.791514 0.331401 Si\n0.750000 0.208486 0.668599 Si\n0.750000 0.180883 0.016857 Si\n0.013497 0.847298 0.273784 S\n0.986502 0.347298 0.226216 S\n0.750000 0.412728 0.841844 S\n0.750000 0.599697 0.142804 S\n0.486503 0.847298 0.273784 S\n0.013497 0.652702 0.773784 S\n0.250000 0.858454 0.451894 S\n0.988407 0.366200 0.457562 S\n0.250000 0.641546 0.951894 S\n0.986502 0.152702 0.726216 S\n0.750000 0.386057 0.637284 S\n0.750000 0.113943 0.137284 S\n0.513497 0.347298 0.226216 S\n0.750000 0.141546 0.548106 S\n0.250000 0.099697 0.357196 S\n0.513497 0.152702 0.726216 S\n0.488407 0.633800 0.542438 S\n0.250000 0.400303 0.857196 S\n0.511593 0.366200 0.457562 S\n0.750000 0.900303 0.642804 S\n0.011593 0.866200 0.042438 S\n0.250000 0.912728 0.658156 S\n0.486503 0.652702 0.773784 S\n0.011593 0.633800 0.542438 S\n0.988407 0.133800 0.957562 S\n0.750000 0.358454 0.048106 S\n0.488407 0.866200 0.042438 S\n0.250000 0.587272 0.158156 S\n0.250000 0.886057 0.862716 S\n0.750000 0.087272 0.341844 S\n0.511593 0.133800 0.957562 S\n0.250000 0.613943 0.362716 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Tl",
"In",
"Si",
"S"
],
"chemical_system": "In-S-Si-Tl",
"density": 4.180704435581945,
"density_atomic": 0.03705997688768376,
"volume": 1511.0640832215583,
"volume_molar": 16.249715368822464,
"formula_full": "Tl8 In8 Si8 S32",
"formula_reduced": "TlInSiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4693001671428572,
"spacegroup": 62
}
]
}