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=id&page=137",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=135",
"results": [
{
"id": "jvasp-101989",
"created_at": "2022-09-04T14:36:41.310643Z",
"updated_at": "2022-09-04T14:36:41.310671Z",
"structure_string": "H22 C10\n1.0\n3.953022 0.003867 0.513322\n1.055731 4.372601 0.034733\n0.121011 -0.049282 13.351936\nH C\n22 10\ndirect\n0.050825 0.904397 0.882932 H\n0.911950 0.250394 0.437234 H\n0.088047 0.749606 0.562763 H\n0.314349 0.223923 0.481185 H\n0.685646 0.776079 0.518812 H\n0.994544 0.708586 0.336176 H\n0.005454 0.291417 0.663822 H\n0.604098 0.315399 0.619449 H\n0.226295 0.180411 0.255706 H\n0.773703 0.819592 0.744290 H\n0.627935 0.160275 0.299331 H\n0.395900 0.684602 0.380548 H\n0.300722 0.634946 0.152719 H\n0.372061 0.839724 0.700667 H\n0.450426 0.890870 0.928878 H\n0.549574 0.109130 0.071118 H\n0.193206 0.632326 0.974140 H\n0.949176 0.095603 0.117064 H\n0.301811 0.376689 0.802152 H\n0.698188 0.623313 0.197845 H\n0.699279 0.365053 0.847277 H\n0.806796 0.367674 0.025857 H\n0.909117 0.611805 0.543760 C\n0.281504 0.748997 0.906597 C\n0.718497 0.251003 0.093400 C\n0.473022 0.521780 0.821134 C\n0.526979 0.478220 0.178863 C\n0.597539 0.678442 0.725758 C\n0.402459 0.321561 0.274239 C\n0.781646 0.454446 0.638569 C\n0.218352 0.545556 0.361429 C\n0.090879 0.388196 0.456237 C\n",
"nsites": 32,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0252657276265358,
"density_atomic": 0.13886357327924773,
"volume": 230.4420032145478,
"volume_molar": 4.336731813669936,
"formula_full": "H22 C10",
"formula_reduced": "H11C5",
"formula_anonymous": "A5B11",
"energy_above_hull": 4.549251875,
"spacegroup": 2
},
{
"id": "jvasp-10199",
"created_at": "2022-09-04T14:38:08.422620Z",
"updated_at": "2022-09-04T14:38:08.422645Z",
"structure_string": "Sr1 Sn1 B2 O6\n1.0\n4.576821 -0.009634 4.342681\n1.859872 4.181897 4.342681\n-0.014863 -0.009634 6.309196\nSr Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Sn\n0.764104 0.764107 0.764105 B\n0.235894 0.235895 0.235895 B\n0.716926 0.508594 0.057045 O\n0.057045 0.716928 0.508593 O\n0.491406 0.942956 0.283073 O\n0.283073 0.491409 0.942954 O\n0.942954 0.283075 0.491406 O\n0.508593 0.057047 0.716926 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn-Sr",
"density": 4.436382231030436,
"density_atomic": 0.08247152407500942,
"volume": 121.25397356431547,
"volume_molar": 7.302084965136267,
"formula_full": "Sr1 Sn1 B2 O6",
"formula_reduced": "SrSn(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.528425417666667,
"spacegroup": 148
},
{
"id": "jvasp-101990",
"created_at": "2022-09-04T14:36:48.230662Z",
"updated_at": "2022-09-04T14:36:48.230691Z",
"structure_string": "H32 C16\n1.0\n5.742161 0.000000 -1.236242\n0.000000 5.293734 0.000000\n-0.041115 0.000000 11.453833\nH C\n32 16\ndirect\n0.665134 0.910934 0.433948 H\n0.456287 0.168848 0.918707 H\n0.543714 0.831151 0.081293 H\n0.543714 0.668847 0.581293 H\n0.456287 0.331152 0.418707 H\n0.693112 0.027141 0.868608 H\n0.306889 0.972859 0.131392 H\n0.306889 0.527140 0.631392 H\n0.693112 0.472859 0.368608 H\n0.480712 0.739399 0.220735 H\n0.480712 0.760600 0.720734 H\n0.519288 0.239399 0.279266 H\n0.891200 0.516037 0.777081 H\n0.108801 0.483963 0.222919 H\n0.108801 0.016037 0.722919 H\n0.891199 0.983962 0.277081 H\n0.519289 0.260600 0.779265 H\n0.942777 0.720818 0.134324 H\n0.057224 0.279181 0.865676 H\n0.334867 0.089065 0.566052 H\n0.334867 0.410935 0.066052 H\n0.665134 0.589065 0.933948 H\n0.952864 0.343134 0.569633 H\n0.047137 0.843133 0.930367 H\n0.952863 0.156866 0.069633 H\n0.047137 0.656866 0.430367 H\n0.278713 0.816913 0.385643 H\n0.278714 0.683086 0.885643 H\n0.721287 0.316914 0.114357 H\n0.057224 0.220818 0.365676 H\n0.942777 0.779181 0.634324 H\n0.721287 0.183086 0.614357 H\n0.401559 0.706331 0.628055 C\n0.963424 0.040847 0.370339 C\n0.598442 0.293668 0.371945 C\n0.963424 0.459152 0.870339 C\n0.036577 0.540847 0.129661 C\n0.036577 0.959152 0.629661 C\n0.864061 0.342214 0.066453 C\n0.764339 0.089621 0.435178 C\n0.135939 0.842214 0.433547 C\n0.864062 0.157785 0.566453 C\n0.764339 0.410379 0.935178 C\n0.235661 0.589621 0.064822 C\n0.235662 0.910378 0.564822 C\n0.401558 0.793668 0.128056 C\n0.135940 0.657785 0.933547 C\n0.598442 0.206331 0.871944 C\n",
"nsites": 48,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0711944327109981,
"density_atomic": 0.13797127291206981,
"volume": 347.89850805095335,
"volume_molar": 4.364778720160072,
"formula_full": "H32 C16",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.260626666666667,
"spacegroup": 14
},
{
"id": "jvasp-101991",
"created_at": "2022-09-04T14:36:49.413685Z",
"updated_at": "2022-09-04T14:36:49.413713Z",
"structure_string": "H18 C12\n1.0\n5.100302 0.029966 -0.723876\n-1.377816 5.717869 -1.395202\n-0.026743 -0.015563 7.808125\nH C\n18 12\ndirect\n0.474811 0.313519 0.034104 H\n0.760988 0.103571 0.215487 H\n0.239011 0.896431 0.784514 H\n0.665443 0.954053 0.374878 H\n0.970457 0.170100 0.428460 H\n0.029543 0.829901 0.571541 H\n0.824624 0.378922 0.876829 H\n0.175375 0.621079 0.123171 H\n0.081902 0.423826 0.751071 H\n0.334557 0.045948 0.625122 H\n0.845798 0.152888 0.693662 H\n0.154202 0.847114 0.306339 H\n0.652714 0.937639 0.897057 H\n0.347286 0.062362 0.102944 H\n0.861984 0.747326 0.934882 H\n0.138016 0.252675 0.065119 H\n0.525189 0.686482 0.965896 H\n0.918098 0.576175 0.248929 H\n0.867861 0.342240 0.740967 C\n0.132139 0.657761 0.259034 C\n0.656052 0.753148 0.880049 C\n0.343948 0.246853 0.119952 C\n0.618173 0.314604 0.431307 C\n0.568909 0.617241 0.684393 C\n0.681626 0.428025 0.616323 C\n0.318374 0.571977 0.383678 C\n0.431091 0.382760 0.315608 C\n0.240498 0.874476 0.641446 C\n0.381826 0.685397 0.568693 C\n0.759502 0.125525 0.358555 C\n",
"nsites": 30,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1829026222780075,
"density_atomic": 0.13169806160188452,
"volume": 227.79378553564618,
"volume_molar": 4.572687469163044,
"formula_full": "H18 C12",
"formula_reduced": "H3C2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.194135999999999,
"spacegroup": 2
},
{
"id": "jvasp-101992",
"created_at": "2022-09-04T14:36:50.385757Z",
"updated_at": "2022-09-04T14:36:50.385784Z",
"structure_string": "H18 C22\n1.0\n5.264865 0.023697 1.038434\n2.128992 5.239798 0.681064\n0.167677 0.059453 11.964686\nH C\n18 22\ndirect\n0.590070 0.853537 0.590729 H\n0.176241 0.054255 0.266168 H\n0.823760 0.945745 0.733831 H\n0.221579 0.871924 0.049655 H\n0.778422 0.128077 0.950345 H\n0.742897 0.611813 0.844474 H\n0.838896 0.226543 0.123023 H\n0.161105 0.773457 0.876977 H\n0.802644 0.712728 0.018431 H\n0.257104 0.388187 0.155526 H\n0.757087 0.890737 0.235554 H\n0.242914 0.109263 0.764446 H\n0.789271 0.407547 0.341211 H\n0.210730 0.592453 0.658789 H\n0.887844 0.945576 0.418384 H\n0.112157 0.054425 0.581616 H\n0.409931 0.146463 0.409271 H\n0.197357 0.287273 0.981569 H\n0.328761 0.319615 0.903203 C\n0.671240 0.680386 0.096796 C\n0.308338 0.589418 0.845110 C\n0.691663 0.410583 0.154889 C\n0.348874 0.769311 0.114422 C\n0.369763 0.500005 0.172125 C\n0.651127 0.230690 0.885578 C\n0.645894 0.779339 0.217144 C\n0.630238 0.499995 0.827874 C\n0.354107 0.220661 0.782856 C\n0.170146 0.553008 0.400543 C\n0.333295 0.490140 0.725089 C\n0.342527 0.601712 0.293915 C\n0.657474 0.398289 0.706085 C\n0.937448 0.749377 0.453672 C\n0.062552 0.250623 0.546328 C\n0.230632 0.302788 0.449175 C\n0.769369 0.697212 0.550825 C\n0.676848 0.130030 0.765539 C\n0.829855 0.446993 0.599456 C\n0.666706 0.509860 0.274911 C\n0.323153 0.869970 0.234461 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4275164956047368,
"density_atomic": 0.12177571247997343,
"volume": 328.47272403828623,
"volume_molar": 4.945272449947989,
"formula_full": "H18 C22",
"formula_reduced": "H9C11",
"formula_anonymous": "A9B11",
"energy_above_hull": 5.672824,
"spacegroup": 2
},
{
"id": "jvasp-101993",
"created_at": "2022-09-04T14:36:51.913204Z",
"updated_at": "2022-09-04T14:36:51.913230Z",
"structure_string": "H28 C16\n1.0\n9.029807 0.000000 -1.821030\n0.000000 4.750526 0.000000\n0.074353 0.000000 8.342497\nH C\n28 16\ndirect\n0.553754 0.348066 0.726924 H\n0.028401 0.459293 0.186026 H\n0.971599 0.540708 0.813974 H\n0.971599 0.959294 0.313974 H\n0.028401 0.040707 0.686026 H\n0.949460 0.204884 0.041221 H\n0.050540 0.795117 0.958779 H\n0.949460 0.295116 0.541221 H\n0.817044 0.786445 0.088223 H\n0.182957 0.213556 0.911778 H\n0.182957 0.286444 0.411778 H\n0.817043 0.713556 0.588223 H\n0.739503 0.542093 0.935662 H\n0.260497 0.457907 0.064338 H\n0.050540 0.704885 0.458779 H\n0.739503 0.957908 0.435662 H\n0.260497 0.042093 0.564338 H\n0.446246 0.651935 0.273077 H\n0.446246 0.848066 0.773077 H\n0.553754 0.151934 0.226923 H\n0.444287 0.727149 0.490775 H\n0.444287 0.772852 0.990775 H\n0.555713 0.272852 0.509226 H\n0.555713 0.227149 0.009225 H\n0.775183 0.054545 0.808660 H\n0.224817 0.945456 0.191340 H\n0.224817 0.554546 0.691340 H\n0.775184 0.445455 0.308660 H\n0.805721 0.940478 0.559793 C\n0.960291 0.066371 0.563191 C\n0.805722 0.559523 0.059793 C\n0.194278 0.440478 0.940208 C\n0.194279 0.059523 0.440208 C\n0.039709 0.933630 0.436809 C\n0.726919 0.417296 0.179224 C\n0.393193 0.756814 0.362919 C\n0.273082 0.917297 0.320776 C\n0.726918 0.082704 0.679224 C\n0.606807 0.256813 0.137081 C\n0.393193 0.743188 0.862920 C\n0.606807 0.243187 0.637081 C\n0.039709 0.566372 0.936809 C\n0.273082 0.582704 0.820777 C\n0.960291 0.433629 0.063191 C\n",
"nsites": 44,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0208261782037378,
"density_atomic": 0.12273164533396881,
"volume": 358.5057454438117,
"volume_molar": 4.906754687116734,
"formula_full": "H28 C16",
"formula_reduced": "H7C4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.630472727272728,
"spacegroup": 14
},
{
"id": "jvasp-101994",
"created_at": "2022-09-04T14:36:53.478980Z",
"updated_at": "2022-09-04T14:36:53.479007Z",
"structure_string": "H24 C16 O12\n1.0\n4.771787 0.000000 -3.655429\n0.000000 11.247551 0.000000\n0.148446 0.000000 7.676259\nH C O\n24 16 12\ndirect\n0.049337 0.594360 0.584691 H\n0.672683 0.755592 0.015849 H\n0.327318 0.244408 -0.015849 H\n0.327318 0.255592 0.484152 H\n0.672683 0.744408 0.515849 H\n0.719285 0.681267 0.241302 H\n0.280717 0.318732 0.758699 H\n0.280716 0.181268 0.258699 H\n0.719285 0.818732 0.741302 H\n0.829683 0.212816 0.505600 H\n0.829682 0.287184 0.005599 H\n0.170318 0.712816 -0.005599 H\n0.170319 0.787184 0.494401 H\n0.822563 0.283455 0.709483 H\n0.950665 0.405640 0.415310 H\n0.177439 0.716545 0.290518 H\n0.049336 0.905640 0.084690 H\n0.326279 0.560764 0.857800 H\n0.673722 0.439236 0.142201 H\n0.950665 0.094360 0.915310 H\n0.326279 0.939236 0.357799 H\n0.177439 0.783455 0.790518 H\n0.822562 0.216545 0.209482 H\n0.673722 0.060764 0.642201 H\n0.924465 0.286512 0.179870 C\n0.770144 0.761466 0.190229 C\n0.229857 0.238534 0.809771 C\n0.229857 0.261466 0.309771 C\n0.770144 0.738534 0.690229 C\n0.075536 0.786512 0.320130 C\n0.924465 0.213488 0.679870 C\n0.075536 0.713488 0.820131 C\n0.288805 0.471909 0.263628 C\n0.885893 0.094086 0.747754 C\n0.885892 0.405914 0.247754 C\n0.114109 0.594086 0.752247 C\n0.711196 0.971909 0.236373 C\n0.288806 0.028091 0.763628 C\n0.711196 0.528091 0.736373 C\n0.114108 0.905913 0.252246 C\n0.052773 0.497340 0.237466 O\n0.947228 0.502660 0.762535 O\n0.571647 0.052684 0.233064 O\n0.428355 0.947316 0.766937 O\n0.428354 0.552684 0.266937 O\n0.368722 0.141394 0.780349 O\n0.631280 0.858605 0.219651 O\n0.368721 0.358606 0.280349 O\n0.631280 0.641394 0.719652 O\n0.052774 0.002660 0.737466 O\n0.571647 0.447316 0.733064 O\n0.947228 0.997340 0.262534 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6218525228254967,
"density_atomic": 0.12437359772966892,
"volume": 418.09516609002594,
"volume_molar": 4.841976810134067,
"formula_full": "H24 C16 O12",
"formula_reduced": "H6C4O3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.385507730769231,
"spacegroup": 14
},
{
"id": "jvasp-101995",
"created_at": "2022-09-04T14:36:48.020550Z",
"updated_at": "2022-09-04T14:36:48.020576Z",
"structure_string": "H12 C12 O8\n1.0\n5.448128 0.000000 -0.449828\n0.000000 7.098110 0.000000\n-0.140178 0.000000 7.423890\nH C O\n12 12 8\ndirect\n0.781278 0.515565 0.586514 H\n0.292292 0.695732 0.145216 H\n0.707708 0.195732 0.854783 H\n0.156892 0.688246 0.353416 H\n0.003196 0.807520 0.163280 H\n0.996804 0.307520 0.836720 H\n0.843109 0.188246 0.646583 H\n0.225312 0.005259 0.829051 H\n-0.002024 0.368525 0.330159 H\n0.002024 0.868525 0.669841 H\n0.218722 0.015565 0.413485 H\n0.774689 0.505259 0.170949 H\n0.306917 0.957969 0.298542 C\n0.183154 0.774905 0.235011 C\n0.816846 0.274905 0.764989 C\n0.821520 0.378787 0.248699 C\n0.178480 0.878787 0.751300 C\n0.693083 0.457969 0.701458 C\n0.663299 0.235460 0.242280 C\n0.425488 0.432432 0.633770 C\n0.336701 0.735460 0.757720 C\n0.421049 0.239524 0.133556 C\n0.578952 0.739524 0.866444 C\n0.574512 0.932432 0.366230 C\n0.349824 0.295162 0.546255 O\n0.263284 0.571476 0.662019 O\n0.736716 0.071476 0.337981 O\n0.736576 0.597021 0.847063 O\n0.263424 0.097021 0.152936 O\n0.638129 0.864714 0.976250 O\n0.361871 0.364714 0.023750 O\n0.650176 0.795162 0.453745 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6464860696647317,
"density_atomic": 0.11163645004105816,
"volume": 286.64472928179725,
"volume_molar": 5.394421587022116,
"formula_full": "H12 C12 O8",
"formula_reduced": "H3C3O2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.406230875,
"spacegroup": 4
},
{
"id": "jvasp-101997",
"created_at": "2022-09-04T14:36:54.216193Z",
"updated_at": "2022-09-04T14:36:54.216202Z",
"structure_string": "H40 C20 O8\n1.0\n4.940750 0.000000 -0.666456\n0.000000 9.564304 0.000000\n0.135147 0.000000 11.504071\nH C O\n40 20 8\ndirect\n0.678070 0.873366 0.096868 H\n0.585060 0.174916 0.744423 H\n0.414941 0.825084 0.255577 H\n0.166596 0.539807 0.723723 H\n0.833405 0.460193 0.276277 H\n0.833405 0.039807 0.776277 H\n0.166596 0.960193 0.223723 H\n0.653703 0.447863 0.739996 H\n0.346298 0.552136 0.260004 H\n0.346298 0.947863 0.760004 H\n0.653702 0.052137 0.239996 H\n0.456570 0.368727 0.840669 H\n0.543431 0.868727 0.659331 H\n0.456570 0.131272 0.340669 H\n0.696000 0.500651 0.889726 H\n0.304000 0.499349 0.110274 H\n0.304001 0.000651 0.610274 H\n0.696000 -0.000651 0.389726 H\n0.585060 0.325084 0.244423 H\n0.414941 0.674916 0.755577 H\n0.543430 0.631272 0.159331 H\n0.117929 0.144522 0.454276 H\n0.882072 0.855477 0.545723 H\n0.321930 0.126633 0.903131 H\n0.321930 0.373367 0.403131 H\n0.678071 0.626633 0.596868 H\n0.543420 0.823183 0.951866 H\n0.456581 0.323184 0.548133 H\n0.543420 0.676816 0.451866 H\n0.794021 0.955356 0.973151 H\n0.456580 0.176816 0.048133 H\n0.205980 0.455356 0.526849 H\n0.794021 0.544643 0.473151 H\n0.128843 0.773997 0.069052 H\n0.871158 0.226002 0.930947 H\n0.871158 0.273998 0.430947 H\n0.128843 0.726002 0.569052 H\n0.882071 0.644522 0.045723 H\n0.205980 0.044644 0.026849 H\n0.117929 0.355478 0.954276 H\n0.332088 0.577765 0.788072 C\n0.667912 0.422235 0.211928 C\n0.667913 0.077765 0.711928 C\n0.453019 0.967727 0.683357 C\n0.546982 0.467728 0.816642 C\n0.453019 0.532272 0.183357 C\n0.034219 0.785296 0.391059 C\n0.546981 0.032272 0.316642 C\n0.332088 0.922235 0.288072 C\n0.965782 0.214704 0.608941 C\n0.947143 0.744085 0.009680 C\n0.034219 0.714704 0.891059 C\n0.947144 0.755914 0.509680 C\n0.052857 0.244086 0.490320 C\n0.052857 0.255914 0.990320 C\n0.728065 0.644597 0.507554 C\n0.271936 0.355402 0.492445 C\n0.271936 0.144597 0.992445 C\n0.728065 0.855402 0.007554 C\n0.965781 0.285296 0.108941 C\n0.780027 0.388904 0.103381 O\n0.219973 0.611095 0.896618 O\n0.953138 0.723895 0.300055 O\n0.780028 0.111096 0.603381 O\n0.046862 0.223896 0.199945 O\n0.953139 0.776104 0.800055 O\n0.046862 0.276104 0.699945 O\n0.219973 0.888904 0.396618 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.2459028666982577,
"density_atomic": 0.12488878718882983,
"volume": 544.4844291520351,
"volume_molar": 4.822002755855593,
"formula_full": "H40 C20 O8",
"formula_reduced": "H10C5O2",
"formula_anonymous": "A2B5C10",
"energy_above_hull": 4.453373352941177,
"spacegroup": 14
},
{
"id": "jvasp-101998",
"created_at": "2022-09-04T14:36:54.624550Z",
"updated_at": "2022-09-04T14:36:54.624563Z",
"structure_string": "H8 C16 O12\n1.0\n5.142053 0.000000 0.000000\n0.000000 6.597810 0.000000\n0.000000 0.000000 11.238452\nH C O\n8 16 12\ndirect\n0.958477 0.020690 0.210333 H\n0.458477 0.479310 0.789667 H\n0.541522 -0.020690 0.710333 H\n0.041522 0.520690 0.289667 H\n0.061296 0.885964 0.986001 H\n0.561296 0.614036 0.013999 H\n0.438703 0.114036 0.486001 H\n0.938703 0.385964 0.513999 H\n0.556047 0.543788 0.487722 C\n0.056047 0.956212 0.512277 C\n0.943952 0.456212 -0.012278 C\n0.443952 0.043788 0.012278 C\n0.819249 0.474696 0.454152 C\n0.319249 0.025304 0.545848 C\n0.180751 0.974696 0.045848 C\n0.680750 0.525304 0.954151 C\n0.370426 0.957842 0.655709 C\n0.629573 0.457842 0.844291 C\n0.129573 0.042158 0.155709 C\n0.645966 0.663087 0.303368 C\n0.145966 0.836913 0.696632 C\n0.854033 0.336913 0.803368 C\n0.354034 0.163087 0.196632 C\n0.870426 0.542158 0.344291 C\n0.073765 0.488126 0.075701 O\n0.573765 0.011874 0.924299 O\n0.608346 0.753751 0.211444 O\n0.108347 0.746249 0.788556 O\n0.891653 0.246249 0.711444 O\n0.042449 0.336527 0.894430 O\n0.457551 0.663473 0.394430 O\n0.957550 0.836527 0.605570 O\n0.542449 0.163473 0.105570 O\n0.926234 0.988126 0.424299 O\n0.391653 0.253751 0.288556 O\n0.426235 0.511874 0.575701 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.7082220004051862,
"density_atomic": 0.09441905560722966,
"volume": 381.27896713725954,
"volume_molar": 6.378098913688864,
"formula_full": "H8 C16 O12",
"formula_reduced": "H2C4O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.742702277777777,
"spacegroup": 19
},
{
"id": "jvasp-1020",
"created_at": "2022-09-04T14:37:43.459751Z",
"updated_at": "2022-09-04T14:37:43.459778Z",
"structure_string": "Tc2\n1.0\n1.378362 -2.387394 0.000000\n1.378362 2.387394 0.000000\n0.000000 0.000000 4.399534\nTc\n2\ndirect\n0.333332 0.666666 0.749999 Tc\n0.666666 0.333332 0.250000 Tc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.240382890494237,
"density_atomic": 0.06907262039412713,
"volume": 28.95503295789324,
"volume_molar": 8.718564209143612,
"formula_full": "Tc2",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy_above_hull": 1.1499999999387e-05,
"spacegroup": 194
},
{
"id": "jvasp-10200",
"created_at": "2022-09-04T14:37:34.536291Z",
"updated_at": "2022-09-04T14:37:34.536309Z",
"structure_string": "Li2 U2 O6\n1.0\n4.834971 -0.001534 3.433270\n1.772043 4.498534 3.433270\n-0.002254 -0.001534 5.929947\nLi U O\n2 2 6\ndirect\n0.472996 0.472996 0.472996 Li\n0.972996 0.972997 0.972996 Li\n0.237226 0.237227 0.237226 U\n0.737226 0.737227 0.737226 U\n0.134312 0.838705 0.496761 O\n0.338705 0.634312 0.996761 O\n0.634311 0.996761 0.338705 O\n0.996761 0.338706 0.634311 O\n0.496761 0.134313 0.838705 O\n0.838705 0.496761 0.134312 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"U",
"O"
],
"chemical_system": "Li-O-U",
"density": 7.539767499566965,
"density_atomic": 0.07749229292525506,
"volume": 129.04509109887184,
"volume_molar": 7.771277029844292,
"formula_full": "Li2 U2 O6",
"formula_reduced": "LiUO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3291793,
"spacegroup": 161
}
]
}