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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4506",
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"results": [
{
"id": "jvasp-29833",
"created_at": "2022-09-04T14:37:38.502355Z",
"updated_at": "2022-09-04T14:37:38.502376Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.271626 2.301107 4.737010\n4.447331 -2.393977 5.431589\n4.209207 2.498453 -6.446661\nAl H O\n4 12 12\ndirect\n0.472360 0.835363 0.303943 Al\n0.527703 0.164634 0.696076 Al\n-0.008911 0.670387 0.653933 Al\n0.008973 0.329610 0.346086 Al\n0.810101 0.598165 0.827051 H\n0.189960 0.401831 0.172968 H\n0.677155 0.908544 0.166937 H\n0.634985 0.829603 0.689313 H\n0.365079 0.170394 0.310707 H\n0.322907 0.091452 0.833082 H\n0.172615 0.714630 0.475048 H\n0.398875 0.465209 0.075101 H\n0.601188 0.534788 0.924919 H\n0.930147 0.943948 0.126401 H\n0.069916 0.056049 0.873618 H\n0.827448 0.285367 0.524971 H\n0.526800 0.189021 0.930496 O\n0.473264 0.810977 0.069524 O\n0.453140 0.867258 0.538988 O\n0.546923 0.132739 0.461031 O\n0.956914 0.388541 0.555356 O\n0.520013 0.438021 0.742315 O\n0.480050 0.561976 0.257704 O\n0.021821 0.057895 0.309677 O\n0.978243 0.942102 0.690343 O\n0.029666 0.283215 0.103583 O\n0.043150 0.611456 0.444664 O\n0.970399 0.716784 0.896437 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"H",
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],
"chemical_system": "Al-H-O",
"density": 2.4555573053695223,
"density_atomic": 0.13270417921169456,
"volume": 210.99561570953523,
"volume_molar": 4.538018919806031,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4481161857142864,
"spacegroup": 2
},
{
"id": "jvasp-25087",
"created_at": "2022-09-04T14:37:38.865644Z",
"updated_at": "2022-09-04T14:37:38.865666Z",
"structure_string": "P24\n1.0\n5.432660 0.010771 -0.884853\n-2.172194 10.559686 -0.870171\n0.060478 -0.058874 10.909360\nP\n24\ndirect\n0.084468 -0.008951 0.173026 P\n0.801623 0.490817 0.634275 P\n0.198379 0.509184 0.365726 P\n0.079349 0.365728 0.632999 P\n0.920652 0.634273 0.367002 P\n0.693382 0.300150 0.524266 P\n0.306620 0.699851 0.475735 P\n0.634768 0.679443 0.018078 P\n0.365234 0.320557 0.981923 P\n0.493131 0.679563 0.816273 P\n0.506870 0.320438 0.183727 P\n0.415931 0.822957 0.956556 P\n0.584070 0.177043 0.043445 P\n0.225842 0.621366 0.943396 P\n0.774159 0.378635 0.056604 P\n0.762662 0.987191 0.623851 P\n0.237339 0.012809 0.376149 P\n-0.009136 0.853197 0.699839 P\n0.009138 0.146804 0.300161 P\n0.173038 0.052756 0.691759 P\n0.826964 0.947244 0.308242 P\n0.915533 0.008951 0.826975 P\n0.243566 0.681854 0.268239 P\n0.756435 0.318147 0.731762 P\n",
"nsites": 24,
"nelements": 1,
"elements": [
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],
"chemical_system": "P",
"density": 1.971035227404593,
"density_atomic": 0.03832227930998835,
"volume": 626.2675506815332,
"volume_molar": 15.714463931769277,
"formula_full": "P24",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy_above_hull": 0.1741999999999999,
"spacegroup": 2
},
{
"id": "jvasp-29257",
"created_at": "2022-09-04T14:37:39.298461Z",
"updated_at": "2022-09-04T14:37:39.298476Z",
"structure_string": "Te6 Se2 O16\n1.0\n4.845523 -0.013418 0.950107\n2.169696 6.357421 1.474276\n0.078411 0.017733 11.615016\nTe Se O\n6 2 16\ndirect\n0.145127 0.871143 0.301028 Te\n0.897616 0.537669 0.190324 Te\n0.102385 0.462330 0.809677 Te\n0.493285 0.260097 0.429863 Te\n0.506716 0.739902 0.570138 Te\n0.854873 0.128856 0.698974 Te\n0.647541 0.172151 0.086195 Se\n0.352459 0.827848 0.913806 Se\n0.071994 0.053449 0.861849 O\n0.928006 0.946550 0.138152 O\n0.165850 0.683789 0.681796 O\n0.834150 0.316210 0.318205 O\n0.507845 0.292159 0.808518 O\n0.257854 0.030782 0.563978 O\n0.742146 0.969217 0.436023 O\n0.361358 0.688363 0.440900 O\n0.638642 0.311636 0.559101 O\n0.405432 0.220172 0.213956 O\n0.594568 0.779827 0.786045 O\n0.814474 0.364378 0.062543 O\n0.185526 0.635621 0.937458 O\n0.492156 0.707840 0.191483 O\n0.992998 0.638300 0.328018 O\n0.007002 0.361699 0.671983 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Se",
"O"
],
"chemical_system": "O-Se-Te",
"density": 5.477535781742234,
"density_atomic": 0.06711901787111901,
"volume": 357.57376614306935,
"volume_molar": 8.972331465820359,
"formula_full": "Te6 Se2 O16",
"formula_reduced": "Te3SeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.293837888888889,
"spacegroup": 2
},
{
"id": "jvasp-35114",
"created_at": "2022-09-04T14:37:39.802137Z",
"updated_at": "2022-09-04T14:37:39.802153Z",
"structure_string": "Ba3 Si2 B6 O16\n1.0\n-5.067115 0.016197 -0.004090\n-0.337755 -7.585098 -0.011060\n1.834066 1.815775 8.204284\nBa Si B O\n3 2 6 16\ndirect\n0.500000 -0.000001 0.500000 Ba\n0.379663 0.418862 0.233461 Ba\n0.620338 0.581137 0.766538 Ba\n0.759074 0.173755 0.940783 Si\n0.240927 0.826244 0.059216 Si\n0.021711 0.908482 0.751785 B\n0.978290 0.091517 0.248215 B\n0.968979 0.306717 0.525232 B\n0.815927 0.757688 0.203488 B\n0.184074 0.242311 0.796512 B\n0.031022 0.693282 0.474768 B\n0.299207 0.674536 0.493777 O\n0.866645 0.943409 0.295451 O\n0.133356 0.056590 0.704548 O\n0.472267 0.274850 0.888693 O\n0.527734 0.725149 0.111306 O\n0.700794 0.325463 0.506222 O\n0.905208 0.770916 0.603602 O\n0.855673 0.636283 0.320466 O\n0.996109 0.704809 0.083975 O\n0.003892 0.295190 0.916025 O\n0.144328 0.363716 0.679533 O\n0.221771 0.029100 0.173582 O\n0.216262 0.823164 0.865951 O\n0.783739 0.176835 0.134049 O\n0.094793 0.229083 0.396397 O\n0.778230 0.970899 0.826417 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ba",
"Si",
"B",
"O"
],
"chemical_system": "B-Ba-O-Si",
"density": 4.156442796900931,
"density_atomic": 0.08565541976445883,
"volume": 315.21648103816966,
"volume_molar": 7.0306593284582535,
"formula_full": "Ba3 Si2 B6 O16",
"formula_reduced": "Ba3Si2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
"energy_above_hull": 3.2602209855555557,
"spacegroup": 2
},
{
"id": "jvasp-13169",
"created_at": "2022-09-04T14:37:39.848317Z",
"updated_at": "2022-09-04T14:37:39.848342Z",
"structure_string": "Na6 Co2 O6\n1.0\n-5.724454 0.005735 -0.002896\n0.468110 5.866527 -0.004546\n-0.086235 -2.728262 -5.734391\nNa Co O\n6 2 6\ndirect\n0.563334 0.257434 0.257093 Na\n0.436666 0.742566 0.742909 Na\n0.058984 0.228276 0.443287 Na\n0.941017 0.771725 0.556714 Na\n0.855816 0.764527 0.020084 Na\n0.144185 0.235474 0.979918 Na\n0.361515 0.806733 0.307661 Co\n0.638485 0.193268 0.692340 Co\n0.255586 0.528449 0.346761 O\n0.744414 0.471551 0.653240 O\n0.244810 0.904584 0.097561 O\n0.755190 0.095416 0.902440 O\n0.306680 0.076916 0.625459 O\n0.693320 0.923083 0.374542 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.0321060973664515,
"density_atomic": 0.07266508092557236,
"volume": 192.66475481310732,
"volume_molar": 8.287530521252998,
"formula_full": "Na6 Co2 O6",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1639997714285717,
"spacegroup": 2
},
{
"id": "jvasp-25619",
"created_at": "2022-09-04T14:37:39.943762Z",
"updated_at": "2022-09-04T14:37:39.943793Z",
"structure_string": "K2 Sn2 S2 O8 F2\n1.0\n6.045359 -0.007108 0.036065\n-2.379128 6.711920 0.004350\n-1.512703 -2.812699 6.398006\nK Sn S O F\n2 2 2 8 2\ndirect\n0.690080 0.338738 0.130603 K\n0.309921 0.661262 0.869399 K\n0.877854 0.945924 0.707507 Sn\n0.122146 0.054076 0.292495 Sn\n0.672517 0.357275 0.656633 S\n0.327484 0.642725 0.343368 S\n0.522335 0.645391 0.249513 O\n0.477666 0.354609 0.750489 O\n0.182760 0.423810 0.335821 O\n0.146647 0.706139 0.230838 O\n0.553711 0.198767 0.431606 O\n0.446290 0.801233 0.568396 O\n0.817241 0.576190 0.664181 O\n0.853353 0.293861 0.769164 O\n0.233168 0.025319 0.024098 F\n0.766832 0.974681 0.975904 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"Sn",
"S",
"O",
"F"
],
"chemical_system": "F-K-O-S-Sn",
"density": 3.4830699578230577,
"density_atomic": 0.06149621763738624,
"volume": 260.1786030865238,
"volume_molar": 9.792701065795107,
"formula_full": "K2 Sn2 S2 O8 F2",
"formula_reduced": "KSnSO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.3479642478125,
"spacegroup": 2
},
{
"id": "jvasp-85369",
"created_at": "2022-09-04T14:37:40.311112Z",
"updated_at": "2022-09-04T14:37:40.311137Z",
"structure_string": "Zn2 Co2 P2 H2 O10\n1.0\n5.164717 0.013338 -0.915075\n-0.329739 5.471305 -0.460465\n0.014869 0.013198 7.460947\nZn Co P H O\n2 2 2 2 10\ndirect\n0.628059 0.207111 0.632416 Zn\n0.371942 0.792890 0.367586 Zn\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.554294 0.297416 0.218901 P\n0.445706 0.702586 0.781101 P\n0.113293 0.261601 0.724650 H\n0.886707 0.738401 0.275352 H\n0.731992 0.250823 0.077176 O\n0.596803 0.103990 0.363249 O\n0.037615 0.774365 0.215917 O\n0.735626 0.725810 0.871869 O\n0.378760 0.446100 0.677146 O\n0.962386 0.225637 0.784085 O\n0.621240 0.553901 0.322856 O\n0.403197 0.896012 0.636753 O\n0.264375 0.274192 0.128133 O\n0.268009 0.749179 0.922826 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P-Zn",
"density": 3.720114397919261,
"density_atomic": 0.08531935836289166,
"volume": 210.97205072077548,
"volume_molar": 7.058352143702052,
"formula_full": "Zn2 Co2 P2 H2 O10",
"formula_reduced": "ZnCoPHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.357190477777777,
"spacegroup": 2
},
{
"id": "jvasp-31808",
"created_at": "2022-09-04T14:37:40.753426Z",
"updated_at": "2022-09-04T14:37:40.753449Z",
"structure_string": "Cr1 H8 C4 S4 N6\n1.0\n3.859152 -0.032766 -0.680969\n-1.828130 7.203188 -0.285855\n0.018655 0.044917 10.173885\nCr H C S N\n1 8 4 4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.352813 0.495798 0.696929 H\n0.647185 0.504202 0.303071 H\n0.411694 0.533050 0.870717 H\n0.324827 0.915446 0.286356 H\n0.481345 0.226563 0.604137 H\n0.518653 0.773437 0.395862 H\n0.675171 0.084554 0.713644 H\n0.588305 0.466951 0.129283 H\n0.959159 0.824128 0.709590 C\n0.040839 0.175872 0.290410 C\n0.440979 0.696694 0.194162 C\n0.559019 0.303307 0.805838 C\n-0.000775 0.281461 0.425379 S\n0.316497 0.753322 0.032632 S\n0.683501 0.246679 0.967367 S\n0.000774 0.718540 0.574621 S\n0.414938 0.798431 0.300620 N\n0.569636 0.546938 0.210581 N\n0.430362 0.453062 0.789418 N\n0.930488 0.902567 0.809580 N\n0.069510 0.097433 0.190420 N\n0.585060 0.201570 0.699380 N\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"H",
"C",
"S",
"N"
],
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"density": 1.8839754961053068,
"density_atomic": 0.08144378141687132,
"volume": 282.403390410793,
"volume_molar": 7.394230296326216,
"formula_full": "Cr1 H8 C4 S4 N6",
"formula_reduced": "CrH8C4(S2N3)2",
"formula_anonymous": "AB4C4D6E8",
"energy_above_hull": 4.864872039130435,
"spacegroup": 2
},
{
"id": "jvasp-20231",
"created_at": "2022-09-04T14:37:40.755656Z",
"updated_at": "2022-09-04T14:37:40.755678Z",
"structure_string": "Ca2 As6\n1.0\n5.854194 -0.007990 -0.007652\n1.470964 5.716294 0.001433\n1.967110 0.549188 5.601537\nCa As\n2 6\ndirect\n0.661102 0.683802 0.631795 Ca\n0.338897 0.316197 0.368205 Ca\n0.777544 0.013439 0.017724 As\n0.222455 0.986561 0.982276 As\n0.190867 0.853298 0.410398 As\n0.809131 0.146701 0.589602 As\n0.777666 0.587475 0.100427 As\n0.222333 0.412524 0.899574 As\n",
"nsites": 8,
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"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 4.688691738844577,
"density_atomic": 0.04264561716056309,
"volume": 187.59254837090435,
"volume_molar": 14.121359147708684,
"formula_full": "Ca2 As6",
"formula_reduced": "CaAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4746714175,
"spacegroup": 2
},
{
"id": "jvasp-5335",
"created_at": "2022-09-04T14:37:40.954296Z",
"updated_at": "2022-09-04T14:37:40.954315Z",
"structure_string": "Nb2 Se4 Cl4\n1.0\n6.390026 0.004031 -0.017136\n3.193243 5.771001 -0.083699\n2.701606 1.878949 6.519646\nNb Se Cl\n2 4 4\ndirect\n0.871440 0.258677 0.000107 Nb\n0.128560 0.741323 -0.000108 Nb\n0.913549 0.894898 0.335948 Se\n0.086451 0.105102 0.664052 Se\n0.730799 0.046557 0.853073 Se\n0.269202 0.953443 0.146926 Se\n0.839367 0.513656 0.218271 Cl\n0.160634 0.486344 0.781728 Cl\n0.422762 0.353019 0.219448 Cl\n0.577239 0.646981 0.780552 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Cl"
],
"chemical_system": "Cl-Nb-Se",
"density": 4.42426929983008,
"density_atomic": 0.0414064205985901,
"volume": 241.50843891926516,
"volume_molar": 14.54397813899677,
"formula_full": "Nb2 Se4 Cl4",
"formula_reduced": "Nb(SeCl)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6148408536666663,
"spacegroup": 2
},
{
"id": "jvasp-26635",
"created_at": "2022-09-04T14:37:41.892089Z",
"updated_at": "2022-09-04T14:37:41.892105Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.415251 -0.009793 -0.056299\n-1.799316 7.415549 -0.012300\n-1.485996 -3.543253 8.092635\nRb Sb Br F\n2 2 2 6\ndirect\n0.983132 0.305839 0.648997 Rb\n0.016866 0.694162 0.351003 Rb\n0.305997 0.159447 0.207918 Sb\n0.694002 0.840554 0.792083 Sb\n0.429995 0.761360 0.064769 Br\n0.570003 0.238641 0.935232 Br\n0.597600 0.549680 0.677720 F\n0.695665 0.885740 0.583031 F\n0.304333 0.114261 0.416970 F\n0.402398 0.450321 0.322280 F\n0.211087 0.762997 0.698131 F\n0.788912 0.237004 0.301869 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Br",
"F"
],
"chemical_system": "Br-F-Rb-Sb",
"density": 4.334800700713292,
"density_atomic": 0.04551478832005636,
"volume": 263.65057254835415,
"volume_molar": 13.23117382783984,
"formula_full": "Rb2 Sb2 Br2 F6",
"formula_reduced": "RbSbBrF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-57075",
"created_at": "2022-09-04T14:37:41.860507Z",
"updated_at": "2022-09-04T14:37:41.860528Z",
"structure_string": "Cd2 Hg4 S2 O12\n1.0\n6.863074 0.022566 0.051200\n3.292233 6.529179 -0.033359\n3.017050 0.928499 6.737465\nCd Hg S O\n2 4 2 12\ndirect\n0.671192 0.871237 0.775086 Cd\n0.328807 0.128764 0.224913 Cd\n0.162903 0.361718 0.779781 Hg\n0.334576 0.635228 0.220405 Hg\n0.665422 0.364774 0.779594 Hg\n0.837096 0.638283 0.220218 Hg\n0.207964 0.864834 0.699038 S\n0.792035 0.135167 0.300961 S\n0.682946 0.308442 0.418544 O\n0.142642 0.467192 0.273320 O\n0.199848 0.064395 0.566719 O\n0.857357 0.532809 0.726679 O\n0.800151 0.935606 0.433280 O\n0.967841 0.886023 0.830869 O\n0.341391 0.825891 0.830820 O\n0.545562 0.798483 0.136531 O\n0.317053 0.691559 0.581456 O\n0.032158 0.113978 0.169130 O\n0.454437 0.201518 0.863468 O\n0.658608 0.174110 0.169179 O\n",
"nsites": 20,
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"elements": [
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"Hg",
"S",
"O"
],
"chemical_system": "Cd-Hg-O-S",
"density": 7.085189498346855,
"density_atomic": 0.06649707611950599,
"volume": 300.7651037777476,
"volume_molar": 9.056248953228021,
"formula_full": "Cd2 Hg4 S2 O12",
"formula_reduced": "CdHg2SO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2300729949999996,
"spacegroup": 2
}
]
}