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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3427",
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"results": [
{
"id": "jvasp-118500",
"created_at": "2022-09-04T14:38:53.228768Z",
"updated_at": "2022-09-04T14:38:53.228793Z",
"structure_string": "Sn1 H1 O2\n1.0\n3.395939 0.000000 0.000000\n-1.697970 2.940970 -0.000000\n-0.000000 0.000000 4.334182\nSn H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 H\n0.333332 0.666666 0.791190 O\n0.666666 0.333333 0.208810 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"H",
"O"
],
"chemical_system": "H-O-Sn",
"density": 5.820026747651296,
"density_atomic": 0.09240646829989439,
"volume": 43.28701305863641,
"volume_molar": 6.517012142976666,
"formula_full": "Sn1 H1 O2",
"formula_reduced": "SnHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 164
},
{
"id": "jvasp-91707",
"created_at": "2022-09-04T14:35:42.614990Z",
"updated_at": "2022-09-04T14:35:42.615014Z",
"structure_string": "Ho2 Zn2 Sn4\n1.0\n4.357723 0.000000 0.000000\n-0.000000 4.357723 0.000000\n0.000000 -0.000000 9.789244\nHo Zn Sn\n2 2 4\ndirect\n0.749999 0.749999 0.748597 Ho\n0.250000 0.250000 0.251403 Ho\n0.749999 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Zn\n0.749999 0.250000 0.000000 Sn\n0.250000 0.749999 0.000000 Sn\n0.749999 0.749999 0.313656 Sn\n0.250000 0.250000 0.686343 Sn\n",
"nsites": 8,
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"elements": [
"Ho",
"Zn",
"Sn"
],
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"density": 8.356667981820546,
"density_atomic": 0.043034978662530726,
"volume": 185.8952937500899,
"volume_molar": 13.99359531980737,
"formula_full": "Ho2 Zn2 Sn4",
"formula_reduced": "HoZnSn2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-109596",
"created_at": "2022-09-04T14:38:09.879309Z",
"updated_at": "2022-09-04T14:38:09.879338Z",
"structure_string": "Sr6 Ho2\n1.0\n7.968661 -0.000000 0.000000\n-3.984330 6.901063 0.000000\n-0.000000 -0.000000 6.458468\nSr Ho\n6 2\ndirect\n0.171578 0.343156 0.250000 Sr\n0.656843 0.828422 0.250000 Sr\n0.171578 0.828422 0.250000 Sr\n0.828422 0.656843 0.750000 Sr\n0.343157 0.171578 0.750000 Sr\n0.828422 0.171578 0.750000 Sr\n0.333333 0.666666 0.750000 Ho\n0.666666 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ho"
],
"chemical_system": "Ho-Sr",
"density": 4.0001768345487445,
"density_atomic": 0.0225247060016399,
"volume": 355.16556795092305,
"volume_molar": 26.735713041322544,
"formula_full": "Sr6 Ho2",
"formula_reduced": "Sr3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-54741",
"created_at": "2022-09-04T14:37:35.638220Z",
"updated_at": "2022-09-04T14:37:35.638245Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 H\n0.607427 0.330904 0.605607 H\n0.338863 0.729822 0.432534 H\n0.270178 0.661137 0.932534 H\n0.432540 0.167142 0.594129 O\n0.051633 0.438162 0.949512 O\n0.377738 0.944220 0.907188 O\n0.746970 0.400321 0.596075 O\n0.599680 0.253030 0.096075 O\n0.235850 0.729912 0.313385 O\n0.270088 0.764150 0.813385 O\n0.928343 0.201926 0.653568 O\n0.798074 0.071657 0.153568 O\n0.832859 0.567459 0.094129 O\n0.055780 0.622262 0.407188 O\n0.561839 0.948367 0.449512 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.9877752329821616,
"density_atomic": 0.10547443321760325,
"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.570408846363636,
"spacegroup": 9
},
{
"id": "jvasp-51023",
"created_at": "2022-09-04T14:36:57.125325Z",
"updated_at": "2022-09-04T14:36:57.125352Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.922629 -0.011761 -0.008578\n-0.388182 5.675856 -0.005688\n-0.299648 -0.094374 7.419214\nSr H O\n2 8 6\ndirect\n0.991486 0.363596 0.292829 Sr\n0.986170 0.633690 0.768215 Sr\n0.323002 0.963158 0.154702 H\n0.781169 0.853669 0.137233 H\n0.785872 0.100327 0.658725 H\n0.201933 0.104894 0.659863 H\n0.482780 0.390109 0.557450 H\n0.485464 0.824847 0.576545 H\n0.452725 0.274917 0.010296 H\n0.595365 0.552209 0.019685 H\n0.906854 0.718253 0.100676 O\n0.002448 0.206875 0.630214 O\n0.464027 0.110910 0.180723 O\n0.486810 0.917613 0.690721 O\n0.526686 0.527263 0.481371 O\n0.457855 0.429011 0.936724 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.8085829470424564,
"density_atomic": 0.09689186791930512,
"volume": 165.1325373696516,
"volume_molar": 6.215321150600013,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2760058512500003,
"spacegroup": 1
},
{
"id": "jvasp-88239",
"created_at": "2022-09-04T14:36:16.718149Z",
"updated_at": "2022-09-04T14:36:16.718175Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.304823 0.003159 0.037436\n0.003159 6.304823 0.037436\n0.065888 0.065888 11.027715\nSr H O\n2 32 20\ndirect\n0.000815 -0.001361 0.251267 Sr\n-0.001361 0.000815 0.751268 Sr\n0.282500 0.390475 0.645515 H\n0.140144 0.313688 0.533060 H\n0.393010 0.724876 0.649167 H\n0.454266 0.970005 0.631834 H\n0.614368 0.277728 0.645910 H\n0.689052 0.137485 0.531670 H\n0.137485 0.689051 0.031670 H\n0.970005 0.454265 0.131834 H\n0.724876 0.393010 0.149166 H\n0.549107 0.973803 0.131837 H\n0.611493 0.729019 0.149520 H\n0.390475 0.282500 0.145515 H\n0.313688 0.140144 0.033060 H\n0.973803 0.549107 0.631838 H\n0.729019 0.611493 0.649521 H\n0.277727 0.614367 0.145910 H\n0.608923 0.717022 0.857001 H\n0.685712 0.859384 0.969455 H\n0.025725 0.450301 0.370679 H\n0.270517 0.387913 0.353010 H\n0.717021 0.608923 0.357000 H\n0.606484 0.274540 0.353363 H\n0.545207 0.029419 0.370723 H\n0.385117 0.721698 0.356650 H\n0.859384 0.685711 0.469455 H\n0.310410 0.861942 0.470882 H\n0.721698 0.385117 0.856650 H\n0.861942 0.310410 0.970882 H\n0.029419 0.545207 0.870723 H\n0.274540 0.606484 0.853363 H\n0.450301 0.025725 0.870679 H\n0.387913 0.270517 0.853011 H\n0.326775 0.125936 0.876724 O\n0.134400 0.676054 0.122557 O\n0.676054 0.134400 0.622557 O\n0.331575 0.869432 0.626389 O\n0.138897 0.329212 0.623561 O\n0.873591 0.672633 0.625795 O\n0.670186 0.860627 0.878955 O\n0.869432 0.331574 0.126388 O\n0.129988 0.667903 0.876168 O\n0.497705 0.495146 0.819110 O\n0.323418 0.865023 0.379994 O\n0.667903 0.129988 0.376168 O\n0.860627 0.670186 0.378955 O\n0.125936 0.326775 0.376724 O\n0.501725 0.504359 0.183425 O\n0.504359 0.501725 0.683425 O\n0.495146 0.497705 0.319110 O\n0.672633 0.873591 0.125794 O\n0.865023 0.323419 0.879995 O\n0.329212 0.138896 0.123560 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9982801999214794,
"density_atomic": 0.12319507250073118,
"volume": 438.3292196989413,
"volume_molar": 4.8882967782370175,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0282796781481487,
"spacegroup": 15
},
{
"id": "jvasp-89624",
"created_at": "2022-09-04T14:36:10.841829Z",
"updated_at": "2022-09-04T14:36:10.841856Z",
"structure_string": "Sr4 H8 O8\n1.0\n9.881477 0.000000 0.000000\n0.000000 6.041737 0.000000\n0.000000 0.000000 3.912510\nSr H O\n4 8 8\ndirect\n0.658084 0.397896 0.250000 Sr\n0.158084 0.102104 0.250000 Sr\n0.338685 0.602125 0.750000 Sr\n0.838685 0.897876 0.750000 Sr\n0.523761 0.128443 0.750000 H\n0.023761 0.371557 0.750000 H\n0.972994 0.628503 0.250000 H\n0.472994 0.871498 0.250000 H\n0.090412 0.684044 0.750000 H\n0.406362 0.184078 0.250000 H\n0.906363 0.315922 0.250000 H\n0.590412 0.815957 0.750000 H\n0.122714 0.373912 0.750000 O\n0.892325 0.154038 0.250000 O\n0.392325 0.345962 0.250000 O\n0.104434 0.845930 0.750000 O\n0.604434 0.654071 0.750000 O\n0.874041 0.626055 0.250000 O\n0.374041 0.873946 0.250000 O\n0.622714 0.126088 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 3.4588152469480864,
"density_atomic": 0.08562308170315305,
"volume": 233.58187537956255,
"volume_molar": 7.033314662602521,
"formula_full": "Sr4 H8 O8",
"formula_reduced": "Sr(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.613674662,
"spacegroup": 62
},
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
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"elements": [
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],
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"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.028848196666667,
"spacegroup": 1
},
{
"id": "jvasp-98304",
"created_at": "2022-09-04T14:36:08.037436Z",
"updated_at": "2022-09-04T14:36:08.037461Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.105953 -0.023696 -0.182474\n-0.003797 6.247668 0.263155\n-0.365583 0.474831 11.326056\nSr H O\n2 32 20\ndirect\n0.971984 0.013303 0.502409 Sr\n0.019377 0.940993 -0.020006 Sr\n0.268883 0.380802 0.605837 H\n0.035310 0.421216 0.652850 H\n0.370915 0.716399 0.604519 H\n0.432164 -0.054588 0.647707 H\n0.737828 0.178377 0.713931 H\n0.597782 0.281098 0.600886 H\n0.068823 0.555416 0.163699 H\n0.721822 0.394902 0.098299 H\n0.032059 0.228208 0.156245 H\n0.741310 0.831868 0.212259 H\n0.620186 0.726167 0.106103 H\n0.385595 0.268541 0.103197 H\n0.432277 0.023545 0.128920 H\n0.709069 0.608297 0.602956 H\n0.800555 0.722871 0.714899 H\n0.184993 0.757433 0.224598 H\n0.561801 0.922785 0.842925 H\n0.626609 0.679865 0.887064 H\n0.026745 0.351867 0.304636 H\n0.229315 0.425401 0.396771 H\n0.922175 0.606971 0.374315 H\n0.718488 0.213131 0.282484 H\n0.575602 0.309102 0.379343 H\n0.392221 0.001471 0.346668 H\n0.675020 0.658422 0.388194 H\n0.348723 0.758089 0.391778 H\n0.979048 0.402985 0.849499 H\n0.742338 0.348306 0.894389 H\n0.206688 0.709207 0.781078 H\n0.300166 0.571070 0.897226 H\n0.403209 0.227036 0.894697 H\n0.267971 0.179032 0.775293 H\n0.335057 0.107814 0.851356 O\n0.158362 0.689894 0.149212 O\n0.669656 0.141354 0.636888 O\n0.307487 0.843919 0.640581 O\n0.142537 0.304871 0.646790 O\n0.847954 0.671437 0.640219 O\n0.688054 0.821532 0.852277 O\n0.917641 0.326658 0.175070 O\n0.162032 0.641662 0.858652 O\n0.536619 0.454792 0.940157 O\n0.271575 0.897490 0.362280 O\n0.637726 0.171080 0.354581 O\n0.817801 0.730803 0.364823 O\n0.072304 0.370844 0.390828 O\n0.567480 0.465962 0.070836 O\n0.480028 0.502723 0.557410 O\n0.464198 0.526299 0.424449 O\n0.681661 0.866825 0.128899 O\n0.874342 0.282094 0.860497 O\n0.308742 0.126862 0.110805 O\n",
"nsites": 54,
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"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 2.0327901587338926,
"density_atomic": 0.12532263042682162,
"volume": 430.8878597272316,
"volume_molar": 4.805309894541711,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0292326411111112,
"spacegroup": 1
},
{
"id": "jvasp-54735",
"created_at": "2022-09-04T14:37:58.217956Z",
"updated_at": "2022-09-04T14:37:58.217975Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.868153 4.350697 0.192388\n-3.868153 4.350697 -0.192388\n-0.098682 0.000000 6.028506\nSr H O\n2 8 12\ndirect\n0.812354 0.812325 0.749816 Sr\n0.187675 0.187647 0.249815 Sr\n-0.012186 0.679117 0.245201 H\n0.679127 -0.012241 0.254432 H\n0.012242 0.320873 0.754432 H\n0.320883 0.012186 0.745202 H\n0.387316 0.703575 0.426369 H\n0.296426 0.612685 0.926369 H\n0.612726 0.296351 0.573275 H\n0.703650 0.387275 0.073274 H\n0.458936 0.097330 0.580036 O\n0.097394 0.458919 0.919586 O\n0.402536 0.743214 0.932609 O\n0.743235 0.402483 0.567049 O\n0.597518 0.256766 0.067049 O\n0.061305 0.771732 0.378421 O\n0.228269 0.938696 0.878421 O\n0.938734 0.228227 0.621226 O\n0.771773 0.061267 0.121226 O\n0.902671 0.541065 0.080036 O\n0.256787 0.597465 0.432609 O\n0.541081 0.902607 0.419586 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 3.0687943978205054,
"density_atomic": 0.10833457155624208,
"volume": 203.07460198500587,
"volume_molar": 5.558835626975822,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5680624827272727,
"spacegroup": 15
},
{
"id": "jvasp-51024",
"created_at": "2022-09-04T14:38:00.922263Z",
"updated_at": "2022-09-04T14:38:00.922285Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.709673 0.135899 0.044098\n-0.229646 6.084997 0.535025\n-0.055491 -0.652318 6.644966\nSr H O\n2 8 6\ndirect\n0.994788 0.624308 0.745936 Sr\n-0.005115 0.356677 0.251569 Sr\n0.204510 0.096842 0.815200 H\n0.784835 0.096848 0.815197 H\n0.784115 0.857419 0.322442 H\n0.205724 0.857421 0.322380 H\n0.494553 0.951204 0.579756 H\n0.494917 0.275259 0.592297 H\n0.495007 0.981179 0.105372 H\n0.494862 0.380038 0.949342 H\n-0.005309 0.189029 0.867734 O\n-0.005073 0.765657 0.369971 O\n0.494682 0.929384 0.724902 O\n0.494910 0.042457 0.241347 O\n0.494835 0.421750 0.534818 O\n0.494833 0.522928 0.016516 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 3.0609323674789004,
"density_atomic": 0.10559754162575148,
"volume": 151.51867887896142,
"volume_molar": 5.702917574864655,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2695971012500005,
"spacegroup": 6
},
{
"id": "jvasp-51020",
"created_at": "2022-09-04T14:36:36.307930Z",
"updated_at": "2022-09-04T14:36:36.307962Z",
"structure_string": "Sr2 H8 O6\n1.0\n0.000000 3.678891 -0.005700\n6.658348 0.000000 0.000000\n0.000000 -0.009845 -6.161913\nSr H O\n2 8 6\ndirect\n0.999957 0.750852 0.370886 Sr\n0.000044 0.250852 0.629113 Sr\n0.789079 0.828319 0.878752 H\n0.210698 0.828369 0.878838 H\n0.210922 0.328319 0.121247 H\n0.789303 0.328369 0.121161 H\n0.499681 0.596848 0.031435 H\n0.500320 0.096848 0.968565 H\n0.500009 0.601601 0.706157 H\n0.499992 0.101601 0.293843 H\n0.999907 0.876514 0.785785 O\n0.000094 0.376514 0.214214 O\n0.499895 0.741740 0.057655 O\n0.500106 0.241740 0.942345 O\n0.499994 0.535360 0.564538 O\n0.500007 0.035360 0.435461 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 3.0726978817509822,
"density_atomic": 0.1060034340905098,
"volume": 150.9385062595103,
"volume_molar": 5.681080817493201,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2678633512500004,
"spacegroup": 26
}
]
}