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=formula_anonymous&page=354",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=352",
"results": [
{
"id": "jvasp-104115",
"created_at": "2022-09-04T14:36:50.417310Z",
"updated_at": "2022-09-04T14:36:50.417335Z",
"structure_string": "H8 C15 S3\n1.0\n3.888695 0.008774 0.648028\n1.930749 6.108819 0.308471\n0.100997 0.024903 11.983899\nH C S\n8 15 3\ndirect\n0.654440 0.152985 0.548249 H\n0.127851 0.856438 0.229818 H\n0.534981 0.765094 0.874971 H\n0.566872 0.765293 0.041943 H\n0.882537 0.856223 0.687064 H\n0.699376 0.860570 0.367711 H\n0.306606 0.860530 0.549154 H\n0.060234 0.153038 0.368587 H\n0.892604 0.309128 0.407324 C\n0.665679 0.309102 0.509514 C\n0.913387 0.506666 0.353269 C\n0.447064 0.506614 0.563579 C\n0.694091 0.704484 0.407411 C\n0.468217 0.704459 0.509446 C\n0.778691 0.310117 0.958441 C\n0.553506 0.425394 0.057785 C\n0.146578 0.511127 0.246092 C\n0.209470 0.511037 0.670765 C\n0.762261 0.644032 0.827192 C\n0.229162 0.692503 0.193804 C\n0.945382 0.692346 0.723075 C\n0.460763 0.644173 0.089704 C\n0.888514 0.425336 0.859098 C\n0.363462 0.277270 0.163887 S\n0.916230 0.035208 0.958433 S\n0.226718 0.277241 0.752964 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6625192615161302,
"density_atomic": 0.09152343268940087,
"volume": 284.0802539414696,
"volume_molar": 6.579889524507981,
"formula_full": "H8 C15 S3",
"formula_reduced": "H8(C5S)3",
"formula_anonymous": "A3B8C15",
"energy_above_hull": 5.750107307692306,
"spacegroup": 5
},
{
"id": "jvasp-113084",
"created_at": "2022-09-04T14:38:46.654073Z",
"updated_at": "2022-09-04T14:38:46.654099Z",
"structure_string": "Li3 Mn8 O16\n1.0\n5.731115 -0.000000 0.000000\n0.000000 5.731115 0.000000\n-0.000000 -0.000000 8.101419\nLi Mn O\n3 8 16\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.754373 Li\n-0.000000 0.500000 0.245627 Li\n-0.000000 0.746871 0.875637 Mn\n0.500000 0.250763 0.373019 Mn\n0.746871 0.000000 0.124363 Mn\n0.250763 0.500000 0.626981 Mn\n0.253128 0.000000 0.124363 Mn\n-0.000000 0.253128 0.875637 Mn\n0.500000 0.749236 0.373019 Mn\n0.749236 0.500000 0.626981 Mn\n0.500000 0.222368 0.138906 O\n0.777631 0.500000 0.861094 O\n0.274485 0.000000 0.362984 O\n0.222368 0.500000 0.861094 O\n0.725514 0.000000 0.362984 O\n-0.000000 0.725514 0.637016 O\n-0.000000 0.224497 0.112213 O\n0.274769 0.500000 0.387257 O\n0.224497 0.000000 0.887787 O\n0.725230 0.500000 0.387257 O\n0.775503 0.000000 0.887787 O\n0.500000 0.777631 0.138906 O\n-0.000000 0.775503 0.112213 O\n0.500000 0.274769 0.612743 O\n0.500000 0.725230 0.612743 O\n-0.000000 0.274485 0.637016 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.470081857476962,
"density_atomic": 0.10146690742685,
"volume": 266.0966090788267,
"volume_molar": 5.9350786504866235,
"formula_full": "Li3 Mn8 O16",
"formula_reduced": "Li3Mn8O16",
"formula_anonymous": "A3B8C16",
"energy_above_hull": 3.465056441890166,
"spacegroup": 115
},
{
"id": "jvasp-117382",
"created_at": "2022-09-04T14:38:27.167850Z",
"updated_at": "2022-09-04T14:38:27.167875Z",
"structure_string": "K3 Ti8 O17\n1.0\n8.008351 -0.022176 0.704574\n7.099913 3.704783 0.704574\n-0.028765 -0.007011 12.115461\nK Ti O\n3 8 17\ndirect\n0.557931 0.557929 0.164233 K\n0.442625 0.442624 0.820869 K\n0.510830 0.510828 0.455178 K\n0.199029 0.199028 0.423419 Ti\n0.804067 0.804065 0.578953 Ti\n0.887809 0.887806 0.070232 Ti\n0.111086 0.111086 0.928626 Ti\n0.755877 0.755875 0.830653 Ti\n0.150309 0.150309 0.674325 Ti\n0.848978 0.848975 0.324567 Ti\n0.243138 0.243137 0.170749 Ti\n0.105962 0.105962 0.535174 O\n0.227745 0.227745 0.816127 O\n0.772054 0.772052 0.185805 O\n0.148630 0.148629 0.293042 O\n0.850266 0.850263 0.710908 O\n-0.000159 -0.000159 0.000668 O\n0.894053 0.894050 0.464884 O\n0.725640 0.725638 0.433602 O\n0.684727 0.684725 0.675928 O\n0.364882 0.364881 0.090405 O\n0.635103 0.635101 0.913307 O\n0.274212 0.274211 0.568241 O\n0.940415 0.940412 0.226965 O\n0.172370 0.172370 0.063228 O\n0.827700 0.827698 0.938143 O\n0.316044 0.316043 0.325741 O\n0.061598 0.061598 0.777040 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 3.547725000997848,
"density_atomic": 0.07746712585567521,
"volume": 361.44364065042606,
"volume_molar": 7.7738017171561555,
"formula_full": "K3 Ti8 O17",
"formula_reduced": "K3Ti8O17",
"formula_anonymous": "A3B8C17",
"energy_above_hull": 3.043490005952381,
"spacegroup": 8
},
{
"id": "jvasp-98158",
"created_at": "2022-09-04T14:36:19.368073Z",
"updated_at": "2022-09-04T14:36:19.368085Z",
"structure_string": "Fe3 Pb8 F24\n1.0\n9.755077 2.713692 -2.700237\n-9.710386 2.815096 2.738474\n0.010565 0.022971 9.414152\nFe Pb F\n3 8 24\ndirect\n0.000000 0.000000 0.000000 Fe\n0.453212 0.540548 0.249665 Fe\n0.546788 0.459452 0.750334 Fe\n0.912730 0.081791 0.565209 Pb\n0.825433 0.176628 0.102224 Pb\n0.174567 0.823372 0.897775 Pb\n0.087270 0.918209 0.434790 Pb\n0.360848 0.625505 0.831548 Pb\n0.725409 0.283714 0.635379 Pb\n0.274591 0.716287 0.364621 Pb\n0.639153 0.374495 0.168451 Pb\n0.232729 0.153289 0.875141 F\n0.947276 0.125222 0.871649 F\n0.052725 0.874778 0.128350 F\n0.607752 0.501664 0.343250 F\n0.392248 0.498337 0.656749 F\n0.598423 0.775329 0.371837 F\n0.401578 0.224671 0.628162 F\n0.278574 0.301676 0.098486 F\n0.721426 0.698324 0.901513 F\n0.767271 0.846711 0.124858 F\n0.887066 0.245400 0.357220 F\n0.308660 0.583893 0.122703 F\n0.155308 0.239305 0.366261 F\n0.844692 0.760695 0.633738 F\n0.691340 0.416107 0.877296 F\n0.516074 0.972792 0.868631 F\n0.926959 0.558577 0.383009 F\n0.073042 0.441423 0.616990 F\n0.430010 0.070184 0.390009 F\n0.569991 0.929816 0.609990 F\n0.984071 0.530833 0.124948 F\n0.015929 0.469167 0.875051 F\n0.112935 0.754600 0.642779 F\n0.483927 0.027208 0.131368 F\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Fe",
"Pb",
"F"
],
"chemical_system": "F-Fe-Pb",
"density": 7.474845185086516,
"density_atomic": 0.06906809175609406,
"volume": 506.7463007896386,
"volume_molar": 8.719135865612866,
"formula_full": "Fe3 Pb8 F24",
"formula_reduced": "Fe3Pb8F24",
"formula_anonymous": "A3B8C24",
"energy_above_hull": 0.2531631382857142,
"spacegroup": 2
},
{
"id": "jvasp-119233",
"created_at": "2022-09-04T14:38:27.820782Z",
"updated_at": "2022-09-04T14:38:27.820808Z",
"structure_string": "Zn8 Fe3 N8\n1.0\n10.326353 -0.047850 3.816967\n0.586841 3.384025 -0.000000\n0.178175 -0.030898 7.826872\nZn Fe N\n8 3 8\ndirect\n0.110403 0.944800 0.699320 Zn\n0.889596 0.055201 0.300680 Zn\n0.638729 0.680636 0.511279 Zn\n0.361270 0.319364 0.488722 Zn\n0.836568 0.581715 0.888033 Zn\n0.163431 0.418286 0.111967 Zn\n0.600076 0.199961 0.852213 Zn\n0.399923 0.800039 0.147788 Zn\n0.632548 0.183726 0.198941 Fe\n0.367451 0.816275 0.801060 Fe\n-0.000000 0.500000 0.500000 Fe\n0.260472 0.869765 0.039802 N\n0.739528 0.130235 0.960199 N\n0.308386 0.845808 0.613489 N\n0.691614 0.154193 0.386511 N\n0.539967 0.730017 0.784957 N\n0.460032 0.269984 0.215044 N\n0.021902 0.489050 0.725154 N\n0.978097 0.510951 0.274846 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"N"
],
"chemical_system": "Fe-N-Zn",
"density": 4.913028446042693,
"density_atomic": 0.07001863443459275,
"volume": 271.35633468757055,
"volume_molar": 8.600768650559056,
"formula_full": "Zn8 Fe3 N8",
"formula_reduced": "Zn8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 2.5887287210526315,
"spacegroup": 12
},
{
"id": "jvasp-85285",
"created_at": "2022-09-04T14:36:06.567085Z",
"updated_at": "2022-09-04T14:36:06.567115Z",
"structure_string": "Sr8 Fe3 N8\n1.0\n5.129834 0.000005 -1.450277\n-0.554650 7.146485 -1.961947\n-0.029454 0.055600 9.693646\nSr Fe N\n8 3 8\ndirect\n0.028762 0.264123 0.057526 Sr\n0.800097 0.194757 0.600195 Sr\n0.404763 0.032676 0.809520 Sr\n0.666638 0.469333 0.333279 Sr\n0.333362 0.530666 0.666721 Sr\n0.595237 0.967322 0.190479 Sr\n0.971238 0.735876 0.942473 Sr\n0.199903 0.805242 0.399804 Sr\n0.187625 0.205713 0.375269 Fe\n0.500000 0.499999 -0.000001 Fe\n0.812375 0.794286 0.624730 Fe\n0.276104 0.167761 0.552214 N\n0.473326 0.720937 0.946646 N\n0.526674 0.279062 0.053354 N\n0.107585 0.015063 0.215180 N\n0.892415 0.984936 0.784819 N\n0.723896 0.832237 0.447786 N\n0.821337 0.568511 0.642672 N\n0.178663 0.431488 0.357328 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"N"
],
"chemical_system": "Fe-N-Sr",
"density": 4.577938357793727,
"density_atomic": 0.05342017668726691,
"volume": 355.6708565609965,
"volume_molar": 11.273157697053108,
"formula_full": "Sr8 Fe3 N8",
"formula_reduced": "Sr8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 3.0781922621052638,
"spacegroup": 12
},
{
"id": "jvasp-117234",
"created_at": "2022-09-04T14:38:51.895379Z",
"updated_at": "2022-09-04T14:38:51.895401Z",
"structure_string": "Mg8 Fe3 N8\n1.0\n8.143857 0.029550 2.230913\n1.134504 4.175904 0.000000\n-0.005692 0.001546 6.586352\nMg Fe N\n8 3 8\ndirect\n0.061750 0.969125 0.756477 Mg\n0.938250 0.030875 0.243523 Mg\n0.674792 0.662603 0.463934 Mg\n0.325208 0.337397 0.536065 Mg\n0.822673 0.588664 0.965652 Mg\n0.177327 0.411336 0.034347 Mg\n0.622003 0.189000 0.792102 Mg\n0.377997 0.811000 0.207897 Mg\n0.616290 0.191855 0.207719 Fe\n0.383710 0.808145 0.792281 Fe\n-0.000000 0.500000 0.500000 Fe\n0.201776 0.899111 0.014542 N\n0.798225 0.100889 0.985457 N\n0.347645 0.826177 0.544479 N\n0.652355 0.173823 0.455520 N\n0.591438 0.704280 0.813938 N\n0.408562 0.295719 0.186061 N\n0.067503 0.466248 0.744830 N\n0.932498 0.533751 0.255170 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 3.5167856291006943,
"density_atomic": 0.08488791260309177,
"volume": 223.82456367890458,
"volume_molar": 7.094226463262878,
"formula_full": "Mg8 Fe3 N8",
"formula_reduced": "Mg8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 2.9351492052631576,
"spacegroup": 12
},
{
"id": "jvasp-112251",
"created_at": "2022-09-04T14:38:47.479913Z",
"updated_at": "2022-09-04T14:38:47.479939Z",
"structure_string": "H16 C18 O6\n1.0\n4.559566 -0.062720 0.201328\n1.373165 8.239663 0.318597\n-0.221742 0.152841 9.460873\nH C O\n16 18 6\ndirect\n0.739910 0.145065 0.911368 H\n0.629007 0.261131 0.477345 H\n0.370995 0.738869 0.522655 H\n-0.014397 0.309398 0.524224 H\n0.933026 0.238379 0.350770 H\n0.066976 0.761621 0.649230 H\n0.699393 0.955873 0.141153 H\n0.300609 0.044126 0.858847 H\n0.014399 0.690602 0.475776 H\n0.215363 0.001466 0.681868 H\n0.403093 0.006444 0.266710 H\n0.596909 0.993557 0.733290 H\n0.443670 0.274843 0.257556 H\n0.556333 0.725156 0.742444 H\n0.260093 0.854935 0.088632 H\n0.784638 -0.001467 0.318132 H\n0.847361 0.384231 0.933427 C\n0.828468 0.309842 0.438236 C\n0.171534 0.690157 0.561765 C\n0.632303 0.944732 0.253302 C\n0.367700 0.055267 0.746698 C\n0.948642 0.670337 0.948998 C\n0.051360 0.329662 0.051002 C\n0.152641 0.615768 0.066573 C\n0.203461 0.452066 0.114684 C\n0.501598 0.679363 0.236909 C\n0.404437 0.402624 0.223985 C\n0.595565 0.597376 0.776015 C\n0.553599 0.513561 0.285915 C\n0.446403 0.486438 0.714085 C\n0.498405 0.320637 0.763092 C\n0.302246 0.728818 0.128570 C\n0.697757 0.271181 0.871430 C\n0.796541 0.547933 0.885316 C\n0.247022 0.522925 0.609331 O\n0.092185 0.185341 0.096174 O\n0.907818 0.814658 0.903826 O\n0.340016 0.222180 0.697410 O\n0.659987 0.777820 0.302590 O\n0.752981 0.477075 0.390669 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5294946893013155,
"density_atomic": 0.11221909613466408,
"volume": 356.4455727927053,
"volume_molar": 5.3664135315912445,
"formula_full": "H16 C18 O6",
"formula_reduced": "H8(C3O)3",
"formula_anonymous": "A3B8C9",
"energy_above_hull": 5.178639525,
"spacegroup": 2
},
{
"id": "jvasp-104030",
"created_at": "2022-09-04T14:37:00.457817Z",
"updated_at": "2022-09-04T14:37:00.457846Z",
"structure_string": "H20 C18 O6\n1.0\n8.569239 0.000000 -0.154383\n0.000000 4.626362 0.000000\n-0.002555 0.000000 9.918665\nH C O\n20 18 6\ndirect\n0.207201 0.108104 0.259653 H\n0.678373 0.641081 0.967550 H\n0.321628 0.141081 0.032451 H\n0.526596 0.395741 0.918193 H\n0.473404 0.895741 0.081808 H\n0.540644 0.741227 0.838429 H\n0.944008 0.399239 0.606296 H\n0.055993 0.899239 0.393705 H\n0.200275 0.237407 0.534280 H\n0.799726 0.737407 0.465721 H\n0.459357 0.241228 0.161572 H\n0.651562 0.360207 0.334929 H\n0.348438 0.860207 0.665072 H\n0.421234 0.503186 0.461787 H\n0.578767 0.003186 0.538213 H\n0.023018 0.334772 0.047514 H\n0.792800 0.608104 0.740348 H\n0.765223 0.160272 0.124835 H\n0.234777 0.660272 0.875165 H\n0.976982 0.834772 0.952487 H\n0.993968 0.739217 0.333015 C\n0.620417 0.327630 0.654887 C\n0.379584 0.827629 0.345114 C\n0.715132 0.435826 0.776397 C\n0.284869 0.935826 0.223604 C\n0.607435 0.561642 0.882241 C\n0.392565 0.061642 0.117760 C\n0.006033 0.239217 0.666986 C\n0.152299 0.144296 0.625523 C\n0.944775 0.127885 0.785867 C\n0.236020 0.937345 0.699202 C\n0.763981 0.437345 0.300799 C\n0.172188 0.824410 0.816781 C\n0.827813 0.324410 0.183220 C\n0.027610 0.919624 0.860624 C\n0.972391 0.419624 0.139377 C\n0.055225 0.627885 0.214134 C\n0.847702 0.644296 0.374478 C\n0.196014 0.709711 0.160026 O\n0.475433 0.988944 0.402007 O\n0.524568 0.488944 0.597994 O\n0.352106 0.558206 0.381193 O\n0.647894 0.058206 0.618808 O\n0.803986 0.209711 0.839975 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4034884117119062,
"density_atomic": 0.11189729856020278,
"volume": 393.2177145128057,
"volume_molar": 5.381846423003661,
"formula_full": "H20 C18 O6",
"formula_reduced": "H10(C3O)3",
"formula_anonymous": "A3B9C10",
"energy_above_hull": 5.025247750000001,
"spacegroup": 4
},
{
"id": "jvasp-102003",
"created_at": "2022-09-04T14:36:53.395864Z",
"updated_at": "2022-09-04T14:36:53.395884Z",
"structure_string": "H28 C18 O6\n1.0\n5.123639 -0.033102 -0.240263\n-0.480650 6.687884 -0.558554\n-0.008419 0.241520 12.123594\nH C O\n28 18 6\ndirect\n0.001682 0.359155 0.716449 H\n0.119838 0.480112 0.381364 H\n0.880162 0.519888 0.618636 H\n0.546113 0.878480 0.852790 H\n0.388709 0.828796 0.263670 H\n0.611291 0.171203 0.736330 H\n0.714942 0.880938 0.322518 H\n0.285058 0.119062 0.677483 H\n0.821334 0.203157 0.448873 H\n0.178666 0.796843 0.551127 H\n0.562708 0.361277 0.473230 H\n0.437292 0.638722 0.526770 H\n0.559640 0.447547 0.274848 H\n0.440361 0.552453 0.725152 H\n0.453888 0.121520 0.147211 H\n0.992377 0.825875 0.744728 H\n0.198007 0.477167 0.051178 H\n0.801993 0.522833 0.948822 H\n0.777896 0.984355 0.023416 H\n0.222104 0.015645 0.976584 H\n0.594846 0.783487 0.078021 H\n0.405154 0.216513 0.921980 H\n0.917880 0.857067 0.133538 H\n0.082120 0.142933 0.866462 H\n0.875678 0.643186 0.417819 H\n0.124322 0.356814 0.582181 H\n-0.001682 0.640844 0.283551 H\n0.007623 0.174125 0.255272 H\n0.626539 0.058772 0.184898 C\n0.095710 0.650298 0.877418 C\n0.904290 0.349702 0.122582 C\n0.735077 0.912558 0.100081 C\n0.942872 0.546057 0.350408 C\n0.264923 0.087442 0.899919 C\n0.373461 0.941228 0.815102 C\n0.057128 0.453943 0.649592 C\n0.542979 0.948224 0.287032 C\n0.647050 0.263392 0.410742 C\n0.453298 0.089535 0.376152 C\n0.546702 0.910465 0.623848 C\n0.352951 0.736608 0.589258 C\n0.731576 0.380826 0.311120 C\n0.268424 0.619174 0.688880 C\n0.829851 0.234230 0.220711 C\n0.170149 0.765770 0.779289 C\n0.457021 0.051776 0.712969 C\n0.840743 0.601249 0.880863 O\n0.762634 0.933532 0.583700 O\n0.237366 0.066468 0.416300 O\n0.260970 0.602632 0.947318 O\n0.739030 0.397368 0.052682 O\n0.159257 0.398750 0.119137 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3589985918426037,
"density_atomic": 0.1250170536069135,
"volume": 415.94325333807393,
"volume_molar": 4.817055422642733,
"formula_full": "H28 C18 O6",
"formula_reduced": "H14(C3O)3",
"formula_anonymous": "A3B9C14",
"energy_above_hull": 4.788350403846154,
"spacegroup": 2
},
{
"id": "jvasp-104034",
"created_at": "2022-09-04T14:37:00.752890Z",
"updated_at": "2022-09-04T14:37:00.752911Z",
"structure_string": "H28 C18 O6\n1.0\n5.922727 0.126021 -0.333927\n-2.802695 5.151430 -0.166336\n0.219659 0.173473 13.462286\nH C O\n28 18 6\ndirect\n0.080943 0.180966 0.970960 H\n0.593612 0.176688 0.404867 H\n0.406389 0.823311 0.595133 H\n0.515777 0.222271 0.555196 H\n-0.016594 0.536390 0.416759 H\n0.016594 0.463610 0.583241 H\n0.834453 0.708672 0.471837 H\n0.165548 0.291328 0.528162 H\n0.507010 0.754590 0.233237 H\n0.492991 0.245409 0.766763 H\n0.361688 0.498408 0.313464 H\n0.638313 0.501592 0.686535 H\n0.448976 0.211985 0.053078 H\n0.551025 0.788014 0.946922 H\n0.484224 0.777728 0.444804 H\n0.278076 0.836877 0.939988 H\n0.702313 0.381046 0.973180 H\n0.297688 0.618953 0.026819 H\n0.179322 0.880365 0.309322 H\n0.820679 0.119634 0.690678 H\n0.013774 0.056005 0.338697 H\n0.986227 0.943994 0.661302 H\n0.889535 0.372145 0.249324 H\n0.110466 0.627854 0.750676 H\n0.558029 0.263183 0.237655 H\n0.441972 0.736816 0.762345 H\n0.919058 0.819033 0.029040 H\n0.721925 0.163122 0.060012 H\n0.004506 0.897116 0.290643 C\n0.343778 0.691644 0.952150 C\n0.656223 0.308355 0.047850 C\n0.810042 0.561221 0.414491 C\n0.530017 0.682696 0.305700 C\n0.189959 0.438778 0.585509 C\n0.995495 0.102884 0.709357 C\n0.469984 0.317303 0.694300 C\n0.014604 0.970368 0.182972 C\n0.771118 0.515911 0.127594 C\n0.899352 0.766070 0.106397 C\n0.100649 0.233929 0.893603 C\n0.228883 0.484088 0.872406 C\n0.742082 0.434090 0.232904 C\n0.257919 0.565909 0.767096 C\n0.770601 0.644158 0.310620 C\n0.229400 0.355842 0.689379 C\n0.985397 0.029631 0.817027 C\n0.458393 0.133282 0.618595 O\n0.404768 0.671601 0.559698 O\n0.595233 0.328398 0.440302 O\n0.874541 0.799849 0.838576 O\n0.125460 0.200151 0.161423 O\n0.541609 0.866717 0.381405 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.358151690459569,
"density_atomic": 0.1249391454205194,
"volume": 416.20262268465757,
"volume_molar": 4.82005918940034,
"formula_full": "H28 C18 O6",
"formula_reduced": "H14(C3O)3",
"formula_anonymous": "A3B9C14",
"energy_above_hull": 4.789890403846154,
"spacegroup": 2
},
{
"id": "jvasp-104029",
"created_at": "2022-09-04T14:36:35.343832Z",
"updated_at": "2022-09-04T14:36:35.343857Z",
"structure_string": "H32 C18 O6\n1.0\n5.516966 0.015677 -1.905404\n-1.593594 8.051214 -0.478463\n-0.050379 0.121876 9.232536\nH C O\n32 18 6\ndirect\n0.995202 0.814366 0.500717 H\n0.762384 0.048417 0.526603 H\n0.237618 0.951583 0.473399 H\n0.801034 0.350864 0.604435 H\n0.198967 0.649136 0.395567 H\n0.497044 0.747815 0.508021 H\n0.724836 0.552475 0.440085 H\n0.275165 0.447525 0.559917 H\n0.820643 0.427101 0.320170 H\n0.179358 0.572900 0.679832 H\n0.283982 0.424319 0.300471 H\n0.716019 0.575681 0.699531 H\n0.489844 0.266175 0.076258 H\n0.510158 0.733825 0.923743 H\n0.791897 0.357982 0.938695 H\n0.208104 0.642018 0.061306 H\n0.502957 0.252185 0.491981 H\n0.398676 0.383151 0.833623 H\n0.601325 0.616849 0.166379 H\n0.004800 0.185634 0.499284 H\n0.215967 0.835377 0.780943 H\n0.784035 0.164623 0.219059 H\n0.833727 0.972709 0.285107 H\n0.568040 0.062396 0.908735 H\n0.166275 0.027291 0.714894 H\n0.599593 0.110338 0.731899 H\n0.400408 0.889662 0.268102 H\n0.913634 0.955473 0.889727 H\n0.086368 0.044527 0.110275 H\n0.759622 0.859904 0.703482 H\n0.240380 0.140096 0.296519 H\n0.431961 0.937604 0.091267 H\n0.124584 0.308095 0.989448 C\n0.273726 0.929423 0.712458 C\n0.875417 0.691906 0.010554 C\n0.268195 0.110586 0.187198 C\n0.731806 0.889414 0.812804 C\n0.453284 0.993213 0.206925 C\n0.546718 0.006787 0.793077 C\n0.726276 0.070577 0.287543 C\n0.801789 0.145802 0.455239 C\n0.321090 0.570678 0.625422 C\n0.688646 0.294682 0.486979 C\n0.311356 0.705318 0.513022 C\n0.678912 0.429323 0.374579 C\n0.428245 0.425180 0.247917 C\n0.571756 0.574820 0.752085 C\n0.340973 0.275220 0.122521 C\n0.659028 0.724780 0.877481 C\n0.198213 0.854199 0.544763 C\n0.564137 0.421068 0.823402 O\n0.873099 0.679464 0.143454 O\n0.126902 0.320537 0.856547 O\n0.071654 0.676888 0.972033 O\n0.928347 0.323112 0.027968 O\n0.435864 0.578932 0.176599 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.39420005387673,
"density_atomic": 0.13650437181000072,
"volume": 410.2432710209892,
"volume_molar": 4.411683435591475,
"formula_full": "H32 C18 O6",
"formula_reduced": "H16(C3O)3",
"formula_anonymous": "A3B9C16",
"energy_above_hull": 4.695036446428571,
"spacegroup": 2
}
]
}