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=-density&page=4443",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4441",
"results": [
{
"id": "jvasp-74438",
"created_at": "2022-09-04T14:35:43.790017Z",
"updated_at": "2022-09-04T14:35:43.790045Z",
"structure_string": "K1 Be2 Si1\n1.0\n-2.291524 2.291524 3.240169\n2.291524 -2.291524 3.240169\n2.291524 2.291524 -3.240169\nK Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Si"
],
"chemical_system": "Be-K-Si",
"density": 2.0789968475583307,
"density_atomic": 0.05877376566836566,
"volume": 68.05757559538092,
"volume_molar": 10.246307500493119,
"formula_full": "K1 Be2 Si1",
"formula_reduced": "KBe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7200946999999998,
"spacegroup": 216
},
{
"id": "jvasp-112335",
"created_at": "2022-09-04T14:38:26.338084Z",
"updated_at": "2022-09-04T14:38:26.338100Z",
"structure_string": "Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"H"
],
"chemical_system": "Ca-Ga-H",
"density": 2.0786876137761268,
"density_atomic": 0.07630312761406059,
"volume": 183.47871755416983,
"volume_molar": 7.892390454110668,
"formula_full": "Ca2 Ga2 H10",
"formula_reduced": "CaGaH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.9194575350000005,
"spacegroup": 4
},
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Rb",
"density": 2.0786104965120438,
"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
"volume_molar": 17.267713238158482,
"formula_full": "Rb1 Mg6 Fe1",
"formula_reduced": "RbMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-98174",
"created_at": "2022-09-04T14:35:48.308207Z",
"updated_at": "2022-09-04T14:35:48.308239Z",
"structure_string": "Na8 Li4 Al4 P8\n1.0\n5.773610 0.000000 0.000000\n-0.000000 8.803502 -1.418024\n0.000000 0.009024 8.916970\nNa Li Al P\n8 4 4 8\ndirect\n0.713077 0.820944 0.179056 Na\n0.286923 0.179055 0.820944 Na\n0.250000 0.067805 0.432195 Na\n0.250000 0.567805 0.932195 Na\n0.750000 0.932194 0.567806 Na\n0.786923 0.320944 0.679056 Na\n0.213077 0.679055 0.320944 Na\n0.750000 0.432195 0.067805 Na\n0.500000 0.881477 0.881478 Li\n0.000000 0.618522 0.618522 Li\n0.500000 0.118522 0.118522 Li\n0.000000 0.381478 0.381478 Li\n0.000000 0.870060 0.870061 Al\n0.000000 0.129939 0.129939 Al\n0.500000 0.370061 0.370061 Al\n0.500000 0.629939 0.629939 Al\n0.250000 0.852405 0.647595 P\n0.214721 0.895219 0.104781 P\n0.285279 0.395219 0.604781 P\n0.785279 0.104780 0.895219 P\n0.714721 0.604780 0.395220 P\n0.750000 0.147594 0.352406 P\n0.250000 0.352405 0.147594 P\n0.750000 0.647594 0.852406 P\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Li",
"Al",
"P"
],
"chemical_system": "Al-Li-Na-P",
"density": 2.0784816884830923,
"density_atomic": 0.05294442506892091,
"volume": 453.3055174129811,
"volume_molar": 11.374456804773347,
"formula_full": "Na8 Li4 Al4 P8",
"formula_reduced": "Na2LiAlP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.1531186333333334,
"spacegroup": 64
},
{
"id": "jvasp-112030",
"created_at": "2022-09-04T14:38:41.935612Z",
"updated_at": "2022-09-04T14:38:41.935639Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.057300 0.235281 0.158963\n1.441686 4.134755 0.902341\n0.308391 0.207759 10.236466\nZn H C O\n1 8 6 4\ndirect\n0.812364 0.031039 0.223845 Zn\n0.468331 0.620007 0.528730 H\n-0.001392 0.745477 0.518969 H\n0.516257 0.035910 0.641526 H\n0.504948 0.433326 0.780247 H\n0.528036 0.845794 0.885763 H\n0.066898 0.014725 0.908935 H\n0.047459 0.176837 0.643423 H\n0.036583 0.577356 0.785660 H\n0.394958 0.118149 0.032300 C\n0.305316 0.074601 0.899222 C\n0.277922 0.357810 0.778502 C\n0.299086 0.412345 0.393417 C\n0.251205 0.533169 0.522929 C\n0.272874 0.254866 0.646363 C\n0.603367 0.269490 0.035332 O\n0.059996 0.536534 0.301663 O\n0.595955 0.172070 0.386113 O\n0.307531 0.966804 0.143239 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.0784457445172526,
"density_atomic": 0.11349795296388511,
"volume": 167.40390028043743,
"volume_molar": 5.3059465855884085,
"formula_full": "Zn1 H8 C6 O4",
"formula_reduced": "ZnH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.274336021052632,
"spacegroup": 1
},
{
"id": "jvasp-8601",
"created_at": "2022-09-04T14:37:04.878266Z",
"updated_at": "2022-09-04T14:37:04.878284Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.400030 0.068506\n3.397076 0.000000 0.000000\n0.000000 -1.472798 -5.563342\nNa H O\n2 2 2\ndirect\n0.330691 0.750001 0.178471 Na\n0.669308 0.250000 0.821528 Na\n0.033467 0.750001 0.586172 H\n0.966532 0.250000 0.413827 H\n0.852782 0.250000 0.238688 O\n0.147217 0.750001 0.761311 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.078292429246051,
"density_atomic": 0.09387505581518796,
"volume": 63.91474229120262,
"volume_molar": 6.4150595786124525,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7925608333333336,
"spacegroup": 11
},
{
"id": "jvasp-112184",
"created_at": "2022-09-04T14:38:45.246007Z",
"updated_at": "2022-09-04T14:38:45.246038Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.819669 0.064400 0.186068\n0.762545 4.297714 0.307606\n0.176794 0.019628 15.959239\nCd H C O\n1 18 11 4\ndirect\n0.121267 0.085517 0.853915 Cd\n0.715342 0.369603 0.482329 H\n0.507913 0.844469 0.564669 H\n0.648126 0.884868 0.130242 H\n-0.016344 0.898675 0.249246 H\n0.416396 0.877176 0.283955 H\n0.747502 0.890322 0.406166 H\n0.184509 0.860366 0.439142 H\n0.151355 0.341179 0.514965 H\n0.229038 0.878692 0.091322 H\n0.472665 0.369519 0.026937 H\n0.888590 0.355288 0.069093 H\n0.193259 0.388011 0.180239 H\n0.623994 0.373113 0.214674 H\n0.942013 0.393200 0.331250 H\n0.377826 0.364173 0.364272 H\n0.521062 0.298345 0.632489 H\n0.950454 0.285795 0.664513 H\n0.946979 0.825096 0.596108 H\n0.766567 0.687910 0.966566 C\n0.651770 0.517148 0.046035 C\n0.472293 0.727159 0.114998 C\n0.381107 0.536247 0.194759 C\n0.225816 0.732983 0.268425 C\n0.759777 0.682708 0.578035 C\n0.990439 0.720785 0.422896 C\n0.906648 0.510803 0.499396 C\n0.700552 0.448755 0.650760 C\n0.536331 0.571974 0.733386 C\n0.136173 0.534046 0.346742 C\n0.603779 0.965980 0.946079 O\n0.594868 0.387088 0.799611 O\n0.333637 0.839659 0.733817 O\n0.037422 0.562211 0.922152 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0780024958155856,
"density_atomic": 0.13024698199228865,
"volume": 261.0425169161539,
"volume_molar": 4.623631709452234,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563704227941177,
"spacegroup": 1
},
{
"id": "jvasp-26735",
"created_at": "2022-09-04T14:38:29.080775Z",
"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"S",
"Cl"
],
"chemical_system": "Al-Cl-S",
"density": 2.077905479127682,
"density_atomic": 0.03665837376462161,
"volume": 491.02014496266344,
"volume_molar": 16.42773571644869,
"formula_full": "Al2 S2 Cl14",
"formula_reduced": "AlSCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4694790302777779,
"spacegroup": 7
},
{
"id": "jvasp-38635",
"created_at": "2022-09-04T14:37:57.540746Z",
"updated_at": "2022-09-04T14:37:57.540778Z",
"structure_string": "K2 F4\n1.0\n4.973524 0.000000 0.000000\n0.000000 4.973524 0.000000\n0.000000 0.000000 4.981626\nK F\n2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.360262 0.360262 0.000000 F\n0.639737 0.639737 0.000000 F\n0.860262 0.139737 0.500000 F\n0.139737 0.860262 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.0778124774210665,
"density_atomic": 0.04869133645649201,
"volume": 123.22520671333967,
"volume_molar": 12.367992333463809,
"formula_full": "K2 F4",
"formula_reduced": "KF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2060700941666667,
"spacegroup": 136
},
{
"id": "jvasp-51669",
"created_at": "2022-09-04T14:38:34.187785Z",
"updated_at": "2022-09-04T14:38:34.187814Z",
"structure_string": "K2 P2 H4 O4\n1.0\n3.304453 3.580664 -1.653750\n-3.304453 3.580664 1.653750\n-0.131228 0.000000 7.096189\nK P H O\n2 2 4 4\ndirect\n0.358049 0.358050 0.750000 K\n0.641949 0.641950 0.250000 K\n0.827860 0.827860 0.750000 P\n0.172139 0.172139 0.250000 P\n0.822607 0.083597 0.586938 H\n0.083596 0.822608 0.913062 H\n0.177392 0.916402 0.413062 H\n0.916402 0.177392 0.086938 H\n0.844062 0.591144 0.670228 O\n0.591143 0.844063 0.829772 O\n0.155936 0.408855 0.329772 O\n0.408855 0.155936 0.170228 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.0777546130961926,
"density_atomic": 0.07212751888686462,
"volume": 166.372005930532,
"volume_molar": 8.349296985310154,
"formula_full": "K2 P2 H4 O4",
"formula_reduced": "KP(HO)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.985868416666667,
"spacegroup": 15
},
{
"id": "jvasp-101964",
"created_at": "2022-09-04T14:36:58.793554Z",
"updated_at": "2022-09-04T14:36:58.793584Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.823671 -0.080745 0.006662\n-0.766658 4.230354 -0.835623\n-0.123010 -0.149879 16.232542\nCd H C O\n1 18 11 4\ndirect\n0.249253 0.301960 0.151192 Cd\n0.176756 0.927612 0.477423 H\n0.145911 0.329152 0.388105 H\n0.425430 0.783553 0.893245 H\n0.626900 0.657977 0.703146 H\n0.189321 0.662061 0.736234 H\n0.391258 0.508311 0.546105 H\n0.958340 0.523931 0.581000 H\n0.745945 0.950341 0.511917 H\n0.865460 0.771492 0.861886 H\n0.850876 0.292956 0.929772 H\n0.420284 0.311533 0.961512 H\n0.657099 0.213337 0.779413 H\n0.220233 0.217747 0.812013 H\n0.429697 0.084903 0.628342 H\n0.993342 0.090366 0.661408 H\n0.895545 0.755563 0.323865 H\n0.480482 0.786950 0.366528 H\n0.727429 0.378272 0.427229 H\n0.833937 0.667390 0.030679 C\n0.670952 0.461989 0.947937 C\n0.612638 0.622417 0.875174 C\n0.465884 0.372340 0.796471 C\n0.382868 0.505089 0.719946 C\n0.900989 0.202813 0.412000 C\n0.147694 0.362443 0.565442 C\n0.990552 0.092500 0.491868 C\n0.718561 0.924800 0.343191 C\n0.604321 0.015480 0.263749 C\n0.236251 0.242578 0.643814 C\n0.036377 0.935679 0.031475 O\n0.334040 0.844983 0.219332 O\n0.767599 0.272236 0.243193 O\n0.774581 0.548238 0.096623 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.077693173060795,
"density_atomic": 0.13022759397165146,
"volume": 261.08138039777714,
"volume_molar": 4.624320066383879,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563881875,
"spacegroup": 1
},
{
"id": "jvasp-20661",
"created_at": "2022-09-04T14:36:58.496736Z",
"updated_at": "2022-09-04T14:36:58.496758Z",
"structure_string": "S32\n1.0\n0.000000 8.152993 -0.214798\n13.134218 0.000000 0.000000\n0.000000 -5.009839 -7.527221\nS\n32\ndirect\n0.349333 0.343386 0.677949 S\n0.150464 0.128299 0.323053 S\n0.849535 0.128299 0.176947 S\n0.686508 0.107835 0.532835 S\n0.313492 0.107835 0.967165 S\n0.313492 0.892165 0.467165 S\n0.686508 0.892165 0.032835 S\n0.752549 0.969566 0.466678 S\n0.247451 0.969566 0.033323 S\n0.247451 0.030434 0.533323 S\n0.752548 0.030434 0.966677 S\n0.919201 0.205602 0.614733 S\n0.080798 0.205602 0.885267 S\n0.080799 0.794398 0.385267 S\n0.919201 0.794398 0.114733 S\n0.414559 0.321091 0.302623 S\n0.585441 0.321091 0.197377 S\n0.585441 0.678909 0.697377 S\n0.414558 0.678909 0.802623 S\n0.254230 0.557670 0.295700 S\n0.745770 0.557670 0.204300 S\n0.745770 0.442331 0.704300 S\n0.254230 0.442331 0.795700 S\n0.183795 0.420593 0.163577 S\n0.816205 0.420593 0.336423 S\n0.816205 0.579407 0.836423 S\n0.183795 0.579407 0.663577 S\n0.349333 0.656614 0.177949 S\n0.650667 0.656614 0.322051 S\n0.650667 0.343386 0.822051 S\n0.150464 0.871701 0.823053 S\n0.849535 0.871701 0.676947 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.0774236284091323,
"density_atomic": 0.03901617811555623,
"volume": 820.1725936667591,
"volume_molar": 15.434983770485962,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.0026600000000001,
"spacegroup": 13
}
]
}