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=chemical_system&page=3428",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3426",
"results": [
{
"id": "jvasp-54744",
"created_at": "2022-09-04T14:38:11.368436Z",
"updated_at": "2022-09-04T14:38:11.368463Z",
"structure_string": "Sr2 H8 O12\n1.0\n4.106006 2.923397 1.092577\n-4.106006 2.923397 -1.092577\n0.447900 0.000000 8.996003\nSr H O\n2 8 12\ndirect\n0.891082 0.842352 0.742828 Sr\n0.157649 0.108919 0.242828 Sr\n0.195639 0.682048 0.954260 H\n0.470524 0.223908 0.832661 H\n0.585272 0.143807 0.656891 H\n0.856194 0.414729 0.156891 H\n0.317953 0.804362 0.454260 H\n-0.223908 0.529477 0.332661 H\n0.336040 0.134881 0.521189 H\n0.865120 0.663961 0.021189 H\n0.463485 0.555911 0.937388 O\n0.463186 0.490193 0.576073 O\n-0.056924 0.527996 0.248320 O\n0.615924 -0.052261 0.175540 O\n0.052261 0.384077 0.675540 O\n0.054683 0.786594 0.977167 O\n0.213407 0.945318 0.477168 O\n0.635553 0.063546 0.051714 O\n0.936455 0.364448 0.551714 O\n0.444090 0.536516 0.437388 O\n0.472005 0.056924 0.748320 O\n0.509808 0.536815 0.076074 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.9243449991968395,
"density_atomic": 0.1032352192755661,
"volume": 213.10556759970964,
"volume_molar": 5.833416931023395,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5615624827272723,
"spacegroup": 9
},
{
"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
},
{
"id": "jvasp-12910",
"created_at": "2022-09-04T14:36:50.952422Z",
"updated_at": "2022-09-04T14:36:50.952441Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.678510 0.000000 0.000000\n0.000000 6.161691 0.000000\n0.000000 0.000000 6.659407\nSr H O\n2 8 6\ndirect\n0.000000 0.629009 0.751980 Sr\n0.000000 0.370991 0.251979 Sr\n0.500000 0.293741 0.602601 H\n0.500000 0.706259 0.102601 H\n0.500000 0.968444 0.598045 H\n0.500000 0.031556 0.098044 H\n0.210816 0.121121 0.829529 H\n0.789184 0.878879 0.329528 H\n0.210816 0.878879 0.329528 H\n0.789184 0.121121 0.829529 H\n0.000000 0.214136 0.877714 O\n0.500000 0.564569 0.036490 O\n0.500000 0.942248 0.742916 O\n0.500000 0.057752 0.242915 O\n0.000000 0.785864 0.377714 O\n0.500000 0.435431 0.536490 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 3.0726457608140096,
"density_atomic": 0.1060016359969387,
"volume": 150.9410666120481,
"volume_molar": 5.681177185014313,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2678646012500003,
"spacegroup": 26
},
{
"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-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,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"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,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"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-36717",
"created_at": "2022-09-04T14:37:57.467459Z",
"updated_at": "2022-09-04T14:37:57.467485Z",
"structure_string": "Sr1 Ta2 H2 O7\n1.0\n3.908004 0.000000 -0.703336\n-0.126582 3.905954 -0.703336\n-0.247358 -0.255505 9.834433\nSr Ta H O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.610003 0.610003 0.220007 Ta\n0.389995 0.389995 0.779992 Ta\n0.761518 0.761517 0.523035 H\n0.238481 0.238481 0.476963 H\n0.500000 0.499999 -0.000000 O\n0.289869 0.289868 0.579739 O\n0.710130 0.710129 0.420260 O\n0.401691 0.901689 0.803381 O\n0.901690 0.401690 0.803381 O\n0.098309 0.598308 0.196618 O\n0.598308 0.098308 0.196618 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"H",
"O"
],
"chemical_system": "H-O-Sr-Ta",
"density": 6.2923857256469296,
"density_atomic": 0.08069236004370424,
"volume": 148.71296357549355,
"volume_molar": 7.463086662403125,
"formula_full": "Sr1 Ta2 H2 O7",
"formula_reduced": "SrTa2H2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 3.3296291008333325,
"spacegroup": 139
},
{
"id": "jvasp-90336",
"created_at": "2022-09-04T14:35:45.395815Z",
"updated_at": "2022-09-04T14:35:45.395830Z",
"structure_string": "Sr2 H6 Os1\n1.0\n-3.808578 -3.808578 0.000000\n-3.808578 -0.000000 -3.808578\n0.000000 -3.808578 -3.808578\nSr H Os\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.770735 0.229265 0.229265 H\n0.770735 0.229265 0.770735 H\n0.770735 0.770735 0.229265 H\n0.229265 0.770735 0.770735 H\n0.229265 0.770735 0.229265 H\n0.229265 0.229265 0.770735 H\n0.000000 0.000000 0.000000 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"H",
"Os"
],
"chemical_system": "H-Os-Sr",
"density": 5.583544450061247,
"density_atomic": 0.08145616333761459,
"volume": 110.48887685388942,
"volume_molar": 7.393106320315868,
"formula_full": "Sr2 H6 Os1",
"formula_reduced": "Sr2H6Os",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.595217513333334,
"spacegroup": 225
},
{
"id": "jvasp-102743",
"created_at": "2022-09-04T14:36:40.783062Z",
"updated_at": "2022-09-04T14:36:40.783078Z",
"structure_string": "Ho2 Te1 S2\n1.0\n4.980630 -0.000986 -5.557197\n-0.448252 3.964176 -6.306623\n0.006664 0.000986 7.462511\nHo Te S\n2 1 2\ndirect\n0.832387 0.332387 0.500000 Ho\n0.167613 0.667614 0.500001 Ho\n0.000000 0.000000 0.000000 Te\n0.700061 0.700061 0.000000 S\n0.299939 0.299939 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Te",
"S"
],
"chemical_system": "Ho-S-Te",
"density": 5.871314703595123,
"density_atomic": 0.03389428499285037,
"volume": 147.51749449957995,
"volume_molar": 17.767422328779926,
"formula_full": "Ho2 Te1 S2",
"formula_reduced": "Ho2TeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2054797799999997,
"spacegroup": 71
},
{
"id": "jvasp-36126",
"created_at": "2022-09-04T14:37:39.753867Z",
"updated_at": "2022-09-04T14:37:39.753887Z",
"structure_string": "Ho1 Tl1 S2\n1.0\n-1.996581 -3.458179 0.000000\n-3.993161 0.000000 0.000000\n-1.996581 -1.152727 -7.484475\nHo Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.499999 0.500000 Tl\n0.732722 0.732720 0.801836 S\n0.267280 0.267279 0.198163 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"S"
],
"chemical_system": "Ho-S-Tl",
"density": 6.963956989403355,
"density_atomic": 0.038702084715207655,
"volume": 103.35360561154046,
"volume_molar": 15.560249026155564,
"formula_full": "Ho1 Tl1 S2",
"formula_reduced": "HoTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7309795416666668,
"spacegroup": 166
},
{
"id": "jvasp-98340",
"created_at": "2022-09-04T14:35:58.838810Z",
"updated_at": "2022-09-04T14:35:58.838828Z",
"structure_string": "V2 H20 S2 O20\n1.0\n7.536671 0.000000 0.000000\n0.000000 9.122127 0.000000\n0.000000 0.000000 5.873549\nV H S O\n2 20 2 20\ndirect\n0.500000 0.717679 0.503309 V\n0.000000 0.282321 0.003309 V\n0.846717 0.509971 0.804601 H\n0.346717 0.490029 0.304601 H\n0.653283 0.490029 0.304601 H\n0.302836 0.376255 0.803694 H\n0.697164 0.376255 0.803694 H\n0.197164 0.623746 0.303694 H\n0.802836 0.623746 0.303694 H\n0.254250 0.140905 0.198334 H\n0.745750 0.140905 0.198334 H\n0.153283 0.509971 0.804601 H\n0.754250 0.859096 0.698334 H\n0.173247 0.025756 0.013922 H\n0.826753 0.025756 0.013922 H\n0.326753 0.974244 0.513922 H\n0.673246 0.974244 0.513922 H\n0.000000 0.238673 0.524290 H\n0.500000 0.761327 0.024290 H\n0.000000 0.077020 0.625141 H\n0.500000 0.922980 0.125140 H\n0.245750 0.859096 0.698334 H\n0.000000 0.759656 0.965449 S\n0.500000 0.240345 0.465449 S\n0.500000 0.347426 0.274546 O\n0.161219 0.854818 0.944688 O\n0.838781 0.854818 0.944688 O\n0.000000 0.652574 0.774546 O\n0.338781 0.145183 0.444688 O\n0.661219 0.145183 0.444688 O\n0.189084 0.413741 0.869966 O\n0.810915 0.413741 0.869966 O\n0.310916 0.586259 0.369966 O\n0.000000 0.179989 0.667321 O\n0.196805 0.132442 0.043734 O\n0.803195 0.132442 0.043734 O\n0.303195 0.867558 0.543734 O\n0.696805 0.867558 0.543734 O\n0.500000 0.820012 0.167321 O\n0.000000 0.333088 0.269745 O\n0.500000 0.666913 0.769745 O\n0.500000 0.314482 0.690324 O\n0.689084 0.586259 0.369966 O\n0.000000 0.685518 0.190323 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"V",
"H",
"S",
"O"
],
"chemical_system": "H-O-S-V",
"density": 2.0814236241984516,
"density_atomic": 0.10896233683898664,
"volume": 403.809254430902,
"volume_molar": 5.526809478121694,
"formula_full": "V2 H20 S2 O20",
"formula_reduced": "VH10SO10",
"formula_anonymous": "ABC10D10",
"energy_above_hull": 3.1811745090909094,
"spacegroup": 31
},
{
"id": "jvasp-98342",
"created_at": "2022-09-04T14:36:00.694721Z",
"updated_at": "2022-09-04T14:36:00.694750Z",
"structure_string": "V2 H20 S2 O20\n1.0\n6.542802 -0.798307 0.201861\n-1.678327 11.081415 -1.358854\n0.129877 -0.628234 6.612697\nV H S O\n2 20 2 20\ndirect\n0.399369 0.750093 0.575498 V\n0.091262 0.241927 0.053651 V\n0.630579 0.211809 0.105224 H\n-0.193988 0.749315 0.506910 H\n0.698558 0.641169 0.632743 H\n0.145401 0.405387 0.684676 H\n0.170255 0.473122 0.677701 H\n0.551138 0.599760 -0.003005 H\n0.620483 0.604904 0.084971 H\n0.265131 0.139232 0.610058 H\n0.794197 0.165299 0.662234 H\n0.302144 0.445649 0.245913 H\n0.794775 0.877462 0.205889 H\n0.331898 -0.003065 -0.051046 H\n0.650851 -0.064375 -0.003174 H\n0.233919 -0.048501 0.485449 H\n0.647258 -0.010930 0.495628 H\n0.084691 0.005774 0.381819 H\n0.844424 0.146842 0.422096 H\n0.303096 0.759468 0.922907 H\n0.796101 0.848544 0.885325 H\n0.340204 -0.024152 0.173624 H\n0.057876 0.602163 0.159718 S\n0.709327 0.377262 0.500788 S\n0.655278 0.473823 0.658943 O\n0.390483 -0.048718 0.029879 O\n0.789600 0.916665 0.004082 O\n-0.111109 0.552076 0.298689 O\n0.232321 0.025332 0.420707 O\n0.729836 0.126416 0.525605 O\n0.294334 0.206447 0.744474 O\n0.867226 0.274105 0.939414 O\n0.079176 0.733317 0.153555 O\n0.032534 0.196159 0.270862 O\n0.217032 0.128442 0.897985 O\n0.698346 0.166485 -0.014597 O\n0.236768 0.840846 0.593170 O\n0.606103 0.891304 0.446568 O\n0.347472 0.696214 0.814146 O\n0.274825 0.388503 0.109388 O\n0.319003 0.625588 0.379428 O\n0.553662 0.313129 0.338542 O\n0.808612 0.871325 0.359895 O\n-0.290454 0.728394 0.622683 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"V",
"H",
"S",
"O"
],
"chemical_system": "H-O-S-V",
"density": 1.8072832851752523,
"density_atomic": 0.09461111510088274,
"volume": 465.06163628959774,
"volume_molar": 6.365151445027005,
"formula_full": "V2 H20 S2 O20",
"formula_reduced": "VH10SO10",
"formula_anonymous": "ABC10D10",
"energy_above_hull": 3.1941072363636365,
"spacegroup": 1
}
]
}