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=4522",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4520",
"results": [
{
"id": "jvasp-101827",
"created_at": "2022-09-04T14:36:53.927226Z",
"updated_at": "2022-09-04T14:36:53.927253Z",
"structure_string": "H4 C3 S1 O1\n1.0\n4.342724 0.036152 1.460538\n0.404185 4.338085 1.458831\n-0.009144 -0.004889 4.815428\nH C S O\n4 3 1 1\ndirect\n0.358523 0.286569 0.844146 H\n0.203616 0.132718 0.431861 H\n0.548294 0.321375 0.272975 H\n0.168138 0.943565 0.003252 H\n0.400894 0.031447 0.912781 C\n0.570855 0.919725 0.638157 C\n0.459445 0.089635 0.363389 C\n0.850000 0.640369 0.638257 S\n0.563862 0.926960 0.138087 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6128592209859829,
"density_atomic": 0.09919155027431933,
"volume": 90.73353501492856,
"volume_molar": 6.07122355013654,
"formula_full": "H4 C3 S1 O1",
"formula_reduced": "H4C3SO",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 4.287441499999999,
"spacegroup": 5
},
{
"id": "jvasp-101825",
"created_at": "2022-09-04T14:36:53.533514Z",
"updated_at": "2022-09-04T14:36:53.533525Z",
"structure_string": "H4 C6 S2 O1\n1.0\n4.521639 0.026144 -0.953430\n-1.544618 4.798238 -1.383614\n0.056134 -0.008288 6.794891\nH C S O\n4 6 2 1\ndirect\n0.985860 0.608107 0.852786 H\n0.332393 0.061570 0.216026 H\n0.293457 0.404020 0.566582 H\n0.295034 0.493063 0.971198 H\n0.182431 0.003339 0.311949 C\n0.159771 0.184668 0.499095 C\n0.952472 0.058759 0.595022 C\n0.991767 0.734611 0.267612 C\n0.042639 0.457556 0.929240 C\n0.873885 0.159668 0.785615 C\n0.779530 0.705612 0.448776 S\n0.605903 0.953607 0.854104 S\n0.939475 0.491420 0.118448 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7541730768347679,
"density_atomic": 0.08790532053616323,
"volume": 147.88638413134447,
"volume_molar": 6.850712474818359,
"formula_full": "H4 C6 S2 O1",
"formula_reduced": "H4C6S2O",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 4.979754115384615,
"spacegroup": 1
},
{
"id": "jvasp-101824",
"created_at": "2022-09-04T14:36:52.507314Z",
"updated_at": "2022-09-04T14:36:52.507334Z",
"structure_string": "H4 C7 S3\n1.0\n4.795409 -0.010670 1.274979\n0.620846 4.762680 1.276778\n0.032266 0.024543 7.614066\nH C S\n4 7 3\ndirect\n0.759130 0.967507 0.911923 H\n0.782382 0.664153 0.265653 H\n0.820733 0.702317 0.589021 H\n0.516716 0.726012 0.942881 H\n0.650194 0.816981 0.340986 C\n0.667761 0.834454 0.513760 C\n0.468679 0.048514 0.588796 C\n0.436040 0.016033 0.266018 C\n0.534725 0.949947 0.927404 C\n0.427306 0.119335 0.756448 C\n0.365193 0.057507 0.098362 C\n0.257590 0.227053 0.427419 S\n0.217597 0.436608 0.784874 S\n0.047820 0.267599 0.069923 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.7626919226935236,
"density_atomic": 0.08063546703866553,
"volume": 173.6208707427323,
"volume_molar": 7.4683523034749975,
"formula_full": "H4 C7 S3",
"formula_reduced": "H4C7S3",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 5.149065714285714,
"spacegroup": 5
},
{
"id": "jvasp-101823",
"created_at": "2022-09-04T14:36:53.785851Z",
"updated_at": "2022-09-04T14:36:53.785874Z",
"structure_string": "H4 C6 S2 O4\n1.0\n5.338804 0.013718 0.473181\n2.167993 5.032535 0.332034\n0.130679 -0.011362 7.669391\nH C S O\n4 6 2 4\ndirect\n0.703144 0.439344 0.068003 H\n0.203121 0.439392 0.568005 H\n0.575267 0.763804 0.154536 H\n0.075282 0.763841 0.654551 H\n0.725545 0.557166 0.170672 C\n0.225548 0.557194 0.670677 C\n0.004168 0.564692 0.143827 C\n0.504178 0.564697 0.643824 C\n0.182200 0.444882 0.850062 C\n0.682193 0.444865 0.350060 C\n0.274740 0.129580 0.900229 S\n0.774706 0.129568 0.400234 S\n0.063407 0.642831 0.966393 O\n0.563420 0.642822 0.466387 O\n0.159594 0.541008 0.251580 O\n0.659613 0.541008 0.751574 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6499932759257008,
"density_atomic": 0.07784795653635206,
"volume": 205.52883738866805,
"volume_molar": 7.735772431210687,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.321289625,
"spacegroup": 1
},
{
"id": "jvasp-101822",
"created_at": "2022-09-04T14:36:52.015442Z",
"updated_at": "2022-09-04T14:36:52.015462Z",
"structure_string": "H14 C16 N2 O2\n1.0\n3.943758 -0.022926 -0.059886\n0.264318 8.443982 3.751592\n-0.258349 0.124833 9.166822\nH C N O\n14 16 2 2\ndirect\n0.118438 0.643461 0.764139 H\n0.232682 0.975788 0.117375 H\n0.232681 0.475788 0.617374 H\n0.697319 0.806582 0.678649 H\n0.806257 0.639018 0.532653 H\n0.806257 0.139018 0.032652 H\n0.918676 0.164686 0.764497 H\n0.697318 0.306582 0.178649 H\n0.412979 0.219200 0.458118 H\n0.412981 0.719200 0.958118 H\n0.698365 0.310368 0.591515 H\n0.698368 0.810368 0.091515 H\n0.118438 0.143461 0.264139 H\n0.918678 0.664684 0.264498 H\n0.528490 0.795786 0.314599 C\n0.324606 0.935665 0.242889 C\n0.324604 0.435666 0.742890 C\n0.261147 0.030019 0.324376 C\n0.261148 0.530019 0.824377 C\n0.485575 0.078717 0.698159 C\n0.485575 0.578717 0.198157 C\n0.528489 0.295786 0.814598 C\n0.586505 0.341139 0.057346 C\n0.405020 0.487000 0.979675 C\n0.646626 0.747677 0.474534 C\n0.646624 0.247678 0.974534 C\n0.586506 0.841138 0.557346 C\n0.664115 0.217414 0.712782 C\n0.664116 0.717416 0.212784 C\n0.405020 0.987000 0.479674 C\n0.406877 0.603245 0.042746 N\n0.406877 0.103246 0.542748 N\n0.445038 0.450896 0.316423 O\n0.445040 0.950897 0.816422 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4576362347048368,
"density_atomic": 0.11207704727437283,
"volume": 303.36273864144107,
"volume_molar": 5.373215039523087,
"formula_full": "H14 C16 N2 O2",
"formula_reduced": "H7C8NO",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.434016279411764,
"spacegroup": 1
},
{
"id": "jvasp-101821",
"created_at": "2022-09-04T14:36:51.146230Z",
"updated_at": "2022-09-04T14:36:51.146249Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n5.118479 0.103579 -0.720583\n-0.891901 7.283854 -1.453439\n-0.194540 -0.062025 7.529260\nH C S N O\n10 12 2 2 2\ndirect\n0.936777 0.948707 0.859179 H\n0.936775 0.448706 0.359179 H\n0.177029 0.772462 0.338580 H\n0.177026 0.272463 0.838582 H\n0.848535 0.961455 0.159646 H\n0.848533 0.461456 0.659648 H\n0.677709 0.090460 0.707041 H\n0.677708 0.590459 0.207041 H\n0.144740 0.961990 0.699541 H\n0.144738 0.461990 0.199542 H\n0.761743 0.340521 0.076810 C\n0.761745 0.840522 0.576810 C\n0.995109 0.368303 0.235116 C\n0.995110 0.868303 0.735115 C\n0.426964 0.528468 0.954059 C\n0.426964 0.028468 0.454059 C\n0.212189 0.418839 0.843834 C\n0.120296 0.205379 0.281732 C\n0.212191 0.918838 0.343833 C\n0.036401 0.521069 0.747260 C\n0.036402 0.021069 0.247260 C\n0.120296 0.705379 0.781732 C\n0.420903 0.253970 0.431343 S\n0.420904 0.753970 0.931342 S\n0.630566 0.992752 0.585378 N\n0.630565 0.492752 0.085378 N\n0.703754 0.701894 0.450180 O\n0.703753 0.201894 0.950180 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.651282862409086,
"density_atomic": 0.10003205295215128,
"volume": 279.91028049172746,
"volume_molar": 6.020211104615232,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.159081196428572,
"spacegroup": 1
},
{
"id": "jvasp-101820",
"created_at": "2022-09-04T14:36:45.835402Z",
"updated_at": "2022-09-04T14:36:45.835424Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.880197481370098,
"density_atomic": 0.08870916866454491,
"volume": 180.36467076480275,
"volume_molar": 6.788633971729369,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.3293096250000005,
"spacegroup": 1
},
{
"id": "jvasp-10182",
"created_at": "2022-09-04T14:37:19.570246Z",
"updated_at": "2022-09-04T14:37:19.570274Z",
"structure_string": "Mg2 In4 O8\n1.0\n5.525129 -0.000000 3.189934\n1.841710 5.209141 3.189934\n0.000000 -0.000000 6.379869\nMg In O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875000 0.875000 0.874999 Mg\n0.500000 0.500000 -0.000001 In\n0.500000 0.500000 0.499999 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.744382 0.744382 0.744381 O\n0.255618 0.255618 0.733146 O\n0.255618 0.733147 0.255617 O\n0.733147 0.255618 0.255617 O\n0.744382 0.266853 0.744381 O\n0.266854 0.744382 0.744381 O\n0.255618 0.255618 0.255618 O\n0.744382 0.744382 0.266852 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"In",
"O"
],
"chemical_system": "In-Mg-O",
"density": 5.750452945252833,
"density_atomic": 0.0762443627713828,
"volume": 183.62013257266926,
"volume_molar": 7.898473462303395,
"formula_full": "Mg2 In4 O8",
"formula_reduced": "MgIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9790047128571426,
"spacegroup": 227
},
{
"id": "jvasp-101819",
"created_at": "2022-09-04T14:36:45.474392Z",
"updated_at": "2022-09-04T14:36:45.474417Z",
"structure_string": "H6 C7 S1 O1\n1.0\n4.662161 0.077501 -1.133328\n-0.860833 4.469543 -0.612518\n0.083621 0.087672 7.075249\nH C S O\n6 7 1 1\ndirect\n0.038255 0.387746 0.975916 H\n0.670528 0.247534 0.317040 H\n0.927092 0.900885 0.716870 H\n0.748937 0.859340 0.040965 H\n0.286154 0.136003 0.037101 H\n0.840893 0.626470 0.362803 H\n0.653064 0.709486 0.902340 C\n0.753304 0.730609 0.728871 C\n0.430165 0.474801 0.878039 C\n0.608876 0.513200 0.573964 C\n0.269998 0.370511 0.024333 C\n0.642705 0.476093 0.367751 C\n0.389541 0.562851 0.224298 C\n0.345768 0.281004 0.641582 S\n0.288898 0.786913 0.267815 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.543558099503731,
"density_atomic": 0.10090162083691002,
"volume": 148.65965358717972,
"volume_molar": 5.9683290615655675,
"formula_full": "H6 C7 S1 O1",
"formula_reduced": "H6C7SO",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 5.1276129,
"spacegroup": 1
},
{
"id": "jvasp-101817",
"created_at": "2022-09-04T14:36:49.978640Z",
"updated_at": "2022-09-04T14:36:49.978649Z",
"structure_string": "H10 C14 O1\n1.0\n3.704956 -0.001685 0.411285\n0.180943 5.475263 0.405323\n-0.052232 0.032913 10.925793\nH C O\n10 14 1\ndirect\n0.645936 0.134907 0.271627 H\n0.195270 0.065316 0.684901 H\n0.360058 0.147837 0.095026 H\n0.776894 0.287237 0.074435 H\n0.712771 0.709238 0.901439 H\n0.180783 0.808575 0.528505 H\n0.134749 0.847695 0.302597 H\n0.681960 0.764644 0.676538 H\n0.214412 0.014284 0.910805 H\n0.679442 0.093563 0.495507 H\n0.319717 0.178496 0.859194 C\n0.557562 0.258966 0.453722 C\n0.313467 0.205965 0.731655 C\n0.540318 0.283663 0.326873 C\n0.428544 0.446646 0.528762 C\n0.462235 0.358948 0.921904 C\n0.576702 0.600141 0.727568 C\n0.385552 0.495920 0.270989 C\n0.592064 0.570151 0.854441 C\n0.283851 0.661498 0.471747 C\n0.340444 0.524981 0.136919 C\n0.258765 0.684624 0.345684 C\n0.491335 0.318642 0.058246 C\n0.440740 0.417538 0.663775 C\n0.177929 0.706331 0.092855 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4547094790795867,
"density_atomic": 0.11275972296241356,
"volume": 221.71037089487444,
"volume_molar": 5.340684245922964,
"formula_full": "H10 C14 O1",
"formula_reduced": "H10C14O",
"formula_anonymous": "AB10C14",
"energy_above_hull": 5.75231454,
"spacegroup": 1
},
{
"id": "jvasp-101816",
"created_at": "2022-09-04T14:36:44.802480Z",
"updated_at": "2022-09-04T14:36:44.802499Z",
"structure_string": "H8 C12 S1 O1\n1.0\n4.663441 0.001175 1.089868\n1.191387 5.316442 0.748721\n-0.186720 0.069634 8.645142\nH C S O\n8 12 1 1\ndirect\n0.214734 0.553979 0.405666 H\n0.820595 0.719458 0.889644 H\n0.125667 0.241657 0.913903 H\n0.845963 0.293839 0.684579 H\n0.530463 0.649929 0.034509 H\n0.548908 0.341158 0.237798 H\n0.763112 0.323189 0.472434 H\n0.001541 0.576748 0.166695 H\n0.945738 0.741140 0.233876 C\n0.070843 0.729071 0.368324 C\n0.618568 0.015637 0.040387 C\n0.755916 0.963272 0.184640 C\n0.009651 0.936743 0.458510 C\n0.694700 0.169012 0.275748 C\n0.124805 0.943908 0.600748 C\n0.597079 0.803103 0.949445 C\n0.393673 0.889923 0.831250 C\n0.176232 0.106105 0.827342 C\n0.027786 0.136269 0.699581 C\n0.816307 0.157379 0.407867 C\n0.403649 0.718507 0.674170 S\n0.519007 0.238409 -0.002719 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5448337066346298,
"density_atomic": 0.10220428138195492,
"volume": 215.25517035614416,
"volume_molar": 5.8922587963749065,
"formula_full": "H8 C12 S1 O1",
"formula_reduced": "H8C12SO",
"formula_anonymous": "ABC8D12",
"energy_above_hull": 5.616610159090909,
"spacegroup": 1
},
{
"id": "jvasp-101815",
"created_at": "2022-09-04T14:36:51.048314Z",
"updated_at": "2022-09-04T14:36:51.048323Z",
"structure_string": "H6 C10 S2 O1\n1.0\n3.889310 -0.024173 -0.071021\n1.318838 5.327402 0.888266\n-0.174356 -0.087545 9.660729\nH C S O\n6 10 2 1\ndirect\n0.094070 0.728959 0.986840 H\n0.500615 0.102886 0.174688 H\n0.509386 0.866375 0.821462 H\n0.752673 0.076486 0.433215 H\n0.254900 0.898136 0.564021 H\n0.719960 0.660780 0.060822 H\n0.992113 0.383615 0.945579 C\n0.996970 0.573554 0.044488 C\n0.783820 0.478827 0.813198 C\n0.534372 0.508633 0.567673 C\n0.202150 0.479024 0.183745 C\n0.427238 0.729573 0.623038 C\n0.566421 0.712538 0.761422 C\n0.434078 0.253394 0.235795 C\n0.568085 0.240403 0.375256 C\n0.445299 0.456713 0.431338 C\n0.810332 0.279252 0.689342 S\n0.158872 0.678384 0.307844 S\n0.161297 0.161238 0.971995 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.706519567120048,
"density_atomic": 0.09465643579717112,
"volume": 200.725918316986,
"volume_molar": 6.362103864658695,
"formula_full": "H6 C10 S2 O1",
"formula_reduced": "H6C10S2O",
"formula_anonymous": "AB2C6D10",
"energy_above_hull": 5.438367026315789,
"spacegroup": 1
}
]
}