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=energy_above_hull&page=4582",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4580",
"results": [
{
"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-104138",
"created_at": "2022-09-04T14:36:32.926348Z",
"updated_at": "2022-09-04T14:36:32.926381Z",
"structure_string": "H20 C28 O2\n1.0\n5.800296 -0.017765 -1.532290\n-3.200717 6.410135 -0.452043\n0.051199 -0.183795 11.939579\nH C O\n20 28 2\ndirect\n0.693264 0.545686 0.766372 H\n0.302667 0.720294 0.165827 H\n0.302660 0.220291 0.665825 H\n0.550933 0.967797 0.912420 H\n0.829186 0.152940 0.786354 H\n0.829186 0.652937 0.286351 H\n0.083123 0.905042 0.039572 H\n0.083118 0.405042 0.539571 H\n0.680765 0.583147 0.931845 H\n0.680760 0.083145 0.431845 H\n0.550937 0.467798 0.412421 H\n0.793773 0.327502 0.185722 H\n0.089144 0.488891 0.912466 H\n0.089137 0.988885 0.412466 H\n0.100473 0.384309 0.039702 H\n0.100469 0.884304 0.539702 H\n0.578266 0.289725 0.020239 H\n0.578265 0.789726 0.520241 H\n0.693273 0.045687 0.266373 H\n0.793766 0.827504 0.685725 H\n0.170967 0.373780 0.291516 C\n0.170961 0.873780 0.791516 C\n0.462412 0.125725 0.541693 C\n0.462417 0.625728 0.041694 C\n0.694954 0.444571 0.694411 C\n0.694961 0.944573 0.194412 C\n0.472429 0.759440 0.136956 C\n0.408355 0.190686 0.945234 C\n0.472422 0.259438 0.636955 C\n0.392802 0.508947 0.385875 C\n0.392799 0.008946 0.885875 C\n0.207572 0.247338 0.910437 C\n0.408355 0.690686 0.445234 C\n0.207571 0.747336 0.410437 C\n0.910465 0.363982 0.566159 C\n0.918214 0.499236 0.660520 C\n0.968525 0.928547 0.757678 C\n0.968530 0.428546 0.257676 C\n0.684957 0.682265 0.006851 C\n0.684952 0.182264 0.506851 C\n0.988623 0.113703 0.815183 C\n0.988625 0.613702 0.315181 C\n0.910471 0.863983 0.066159 C\n0.207791 0.436566 0.976078 C\n0.207786 0.936562 0.476077 C\n0.167421 0.186494 0.225999 C\n0.167414 0.686494 0.725999 C\n0.918222 0.999237 0.160521 C\n0.374524 0.686471 0.725975 O\n0.374532 0.186472 0.225976 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4581886564203395,
"density_atomic": 0.11302940641379838,
"volume": 442.36275838653,
"volume_molar": 5.327941595971108,
"formula_full": "H20 C28 O2",
"formula_reduced": "H10C14O",
"formula_anonymous": "AB10C14",
"energy_above_hull": 5.752404940000001,
"spacegroup": 5
},
{
"id": "jvasp-54483",
"created_at": "2022-09-04T14:37:43.170588Z",
"updated_at": "2022-09-04T14:37:43.170602Z",
"structure_string": "Ta9 Fe2 S6\n1.0\n5.177074 -8.966957 0.000000\n5.177074 8.966957 -0.000000\n-0.000000 0.000000 3.314655\nTa Fe S\n9 2 6\ndirect\n0.201832 0.464794 0.500001 Ta\n0.535205 0.737038 0.500001 Ta\n0.457814 0.457814 0.000000 Ta\n0.798167 0.262961 0.500001 Ta\n0.542186 -0.000000 0.000000 Ta\n0.464794 0.201832 0.500001 Ta\n0.262961 0.798167 0.500001 Ta\n-0.000000 0.542186 0.000000 Ta\n0.737038 0.535205 0.500001 Ta\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666667 0.000000 Fe\n0.295084 -0.000000 0.000000 S\n0.704915 0.704915 0.000000 S\n0.273762 0.273762 0.500001 S\n-0.000000 0.726237 0.500001 S\n0.726237 -0.000000 0.500001 S\n-0.000000 0.295084 0.000000 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 10.427873130317716,
"density_atomic": 0.05523967738308368,
"volume": 307.74980603355215,
"volume_molar": 10.901839122333815,
"formula_full": "Ta9 Fe2 S6",
"formula_reduced": "Ta9(FeS3)2",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 5.753249047058824,
"spacegroup": 189
},
{
"id": "jvasp-96763",
"created_at": "2022-09-04T14:36:31.426729Z",
"updated_at": "2022-09-04T14:36:31.426764Z",
"structure_string": "Er10 Ru10 C19\n1.0\n7.205698 0.000000 -0.000000\n-3.602849 6.815858 -2.666642\n-0.000000 -0.004919 10.035867\nEr Ru C\n10 10 19\ndirect\n0.254685 0.509369 0.214532 Er\n0.000312 0.000624 0.989484 Er\n0.477846 0.955693 0.989356 Er\n0.323039 0.646078 0.613573 Er\n0.510925 0.021850 0.363887 Er\n0.142052 0.284103 0.764622 Er\n0.821710 0.643420 0.600086 Er\n0.625861 0.251722 0.738482 Er\n0.751056 0.502112 0.239634 Er\n0.016047 0.032094 0.380434 Er\n0.219982 0.945993 0.583453 Ru\n0.935605 0.353056 0.395645 Ru\n0.095871 0.767033 0.135432 Ru\n0.671162 0.767033 0.135432 Ru\n0.598528 0.620893 0.843452 Ru\n0.022365 0.620893 0.843452 Ru\n0.417452 0.353056 0.395645 Ru\n0.726010 0.945993 0.583453 Ru\n0.893517 0.354774 0.989495 Ru\n0.461258 0.354774 0.989495 Ru\n0.868282 0.235590 0.154422 C\n0.391902 0.580082 0.989334 C\n0.188180 0.580082 0.989334 C\n0.355354 0.216106 0.555893 C\n0.860752 0.216106 0.555893 C\n0.085260 0.649573 0.422679 C\n0.564313 0.649573 0.422679 C\n0.458494 0.413341 0.631072 C\n0.135762 0.771624 0.347816 C\n0.954847 0.413341 0.631072 C\n0.183243 0.870297 0.783006 C\n0.286440 0.077041 0.195938 C\n0.790601 0.077041 0.195938 C\n0.284865 0.070459 0.824452 C\n0.687055 0.870297 0.783006 C\n0.785595 0.070459 0.824452 C\n0.367307 0.235590 0.154422 C\n0.635862 0.771624 0.347816 C\n0.788056 0.576112 0.989381 C\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Er",
"Ru",
"C"
],
"chemical_system": "C-Er-Ru",
"density": 9.81062543662918,
"density_atomic": 0.07914006624689625,
"volume": 492.79716140659053,
"volume_molar": 7.60947146697161,
"formula_full": "Er10 Ru10 C19",
"formula_reduced": "Er10Ru10C19",
"formula_anonymous": "A10B10C19",
"energy_above_hull": 5.753531153846153,
"spacegroup": 8
},
{
"id": "jvasp-37119",
"created_at": "2022-09-04T14:38:01.426951Z",
"updated_at": "2022-09-04T14:38:01.426968Z",
"structure_string": "Pu1 Co1 C2\n1.0\n-3.609904 0.000000 0.000000\n0.000000 -2.262790 -2.997210\n0.000000 -2.262790 2.997210\nPu Co C\n1 1 2\ndirect\n0.000000 0.002120 0.997880 Pu\n0.500000 0.389146 0.610854 Co\n0.500000 0.850407 0.456673 C\n0.500000 0.543327 0.149593 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"Co",
"C"
],
"chemical_system": "C-Co-Pu",
"density": 11.087904347438823,
"density_atomic": 0.0816907567691689,
"volume": 48.965148055889344,
"volume_molar": 7.371875348170149,
"formula_full": "Pu1 Co1 C2",
"formula_reduced": "PuCoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.755502725,
"spacegroup": 38
},
{
"id": "jvasp-106589",
"created_at": "2022-09-04T14:37:01.407135Z",
"updated_at": "2022-09-04T14:37:01.407166Z",
"structure_string": "Pu6 Mg2\n1.0\n6.660482 0.000000 0.000000\n-3.330241 5.768147 0.000000\n-0.000000 -0.000000 5.378737\nPu Mg\n6 2\ndirect\n0.167855 0.335712 0.250000 Pu\n0.664289 0.832145 0.250000 Pu\n0.167856 0.832145 0.250000 Pu\n0.832144 0.167855 0.750000 Pu\n0.335712 0.167855 0.750000 Pu\n0.832145 0.664289 0.750000 Pu\n0.666667 0.333334 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Mg"
],
"chemical_system": "Mg-Pu",
"density": 12.154966788731635,
"density_atomic": 0.03871396907869871,
"volume": 206.64375651428048,
"volume_molar": 15.55547236130205,
"formula_full": "Pu6 Mg2",
"formula_reduced": "Pu3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 5.757574762500001,
"spacegroup": 194
},
{
"id": "jvasp-36241",
"created_at": "2022-09-04T14:37:18.963574Z",
"updated_at": "2022-09-04T14:37:18.963592Z",
"structure_string": "Re1 C2\n1.0\n1.443497 -2.500209 0.000000\n1.443497 2.500209 -0.000000\n0.000000 0.000000 4.065847\nRe C\n1 2\ndirect\n0.666668 0.333334 0.500000 Re\n0.000000 0.000000 0.830089 C\n0.000000 0.000000 0.169911 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 11.895076929897199,
"density_atomic": 0.10222285996700452,
"volume": 29.347642992656827,
"volume_molar": 5.891187902533568,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.759896,
"spacegroup": 187
},
{
"id": "jvasp-111052",
"created_at": "2022-09-04T14:38:37.934699Z",
"updated_at": "2022-09-04T14:38:37.934727Z",
"structure_string": "Hf1 Mo1 C2\n1.0\n3.189814 0.000000 0.000000\n0.000000 3.189814 0.000000\n0.000000 0.000000 4.484300\nHf Mo C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.499999 0.499999 0.500000 Mo\n0.000000 0.000000 0.500000 C\n0.499999 0.499999 -0.000000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mo",
"C"
],
"chemical_system": "C-Hf-Mo",
"density": 10.861688386364293,
"density_atomic": 0.08766669062574013,
"volume": 45.62736395601485,
"volume_molar": 6.869360206271797,
"formula_full": "Hf1 Mo1 C2",
"formula_reduced": "HfMoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.760529725,
"spacegroup": 123
},
{
"id": "jvasp-31620",
"created_at": "2022-09-04T14:36:39.611354Z",
"updated_at": "2022-09-04T14:36:39.611374Z",
"structure_string": "Nb6 B6 C2\n1.0\n3.144394 0.000000 0.000000\n0.000000 3.277465 -0.372690\n0.000000 -0.003363 14.567899\nNb B C\n6 6 2\ndirect\n0.250000 0.453246 0.906492 Nb\n0.749999 0.546754 0.093508 Nb\n0.250000 0.787309 0.574619 Nb\n0.749999 0.212690 0.425381 Nb\n0.749999 0.362085 0.724170 Nb\n0.250000 0.637914 0.275830 Nb\n0.250000 0.015426 0.030852 B\n0.749999 0.984573 0.969148 B\n0.250000 0.888401 0.776803 B\n0.749999 0.111598 0.223197 B\n0.250000 0.078841 0.157683 B\n0.749999 0.921158 0.842317 B\n0.250000 0.712163 0.424326 C\n0.749999 0.287836 0.575674 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"B",
"C"
],
"chemical_system": "B-C-Nb",
"density": 7.148912255098433,
"density_atomic": 0.09325400509284636,
"volume": 150.12760026833377,
"volume_molar": 6.457782434120856,
"formula_full": "Nb6 B6 C2",
"formula_reduced": "Nb3B3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.763617992857143,
"spacegroup": 63
},
{
"id": "jvasp-35476",
"created_at": "2022-09-04T14:37:43.405721Z",
"updated_at": "2022-09-04T14:37:43.405729Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n0.000000 0.000000 4.132898\n4.174875 0.000000 0.000000\n-2.087437 7.088360 0.000000\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.188878 0.377756 Re\n0.500000 0.811123 0.622245 Re\n0.000000 0.303634 0.607269 Re\n0.000000 0.696366 0.392731 Re\n0.500000 0.411064 0.822128 Si\n0.500000 0.588937 0.177872 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Re",
"Si"
],
"chemical_system": "Pr-Re-Si",
"density": 12.788306324103273,
"density_atomic": 0.05723400143172733,
"volume": 122.30492058728558,
"volume_molar": 10.521963534532222,
"formula_full": "Pr1 Re4 Si2",
"formula_reduced": "Pr(Re2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.767302721428571,
"spacegroup": 65
},
{
"id": "jvasp-39469",
"created_at": "2022-09-04T14:37:51.353753Z",
"updated_at": "2022-09-04T14:37:51.353769Z",
"structure_string": "Re3 Sb1\n1.0\n0.000000 3.204901 3.204901\n3.204901 0.000000 3.204901\n3.204901 3.204901 0.000000\nRe Sb\n3 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500001 0.500001 0.500001 Re\n0.250000 0.250000 0.250000 Re\n0.750001 0.750001 0.750001 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Sb"
],
"chemical_system": "Re-Sb",
"density": 17.16040064519947,
"density_atomic": 0.06075557560784262,
"volume": 65.83757885562129,
"volume_molar": 9.91207917915378,
"formula_full": "Re3 Sb1",
"formula_reduced": "Re3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.772177524999999,
"spacegroup": 225
},
{
"id": "jvasp-101836",
"created_at": "2022-09-04T14:36:59.940379Z",
"updated_at": "2022-09-04T14:36:59.940399Z",
"structure_string": "H16 C30 S4 O2\n1.0\n3.814037 0.031908 -0.059447\n-0.009299 10.319767 4.876155\n-0.254566 -0.012311 13.382197\nH C S O\n16 30 4 2\ndirect\n0.508198 0.714557 0.450652 H\n0.817773 0.624184 0.631416 H\n0.016496 0.837063 0.449949 H\n0.511709 0.336629 0.450744 H\n0.309841 0.745989 0.632034 H\n0.805044 0.245627 0.632829 H\n0.684139 0.907184 0.308111 H\n0.183027 0.407130 0.308254 H\n0.313440 0.123833 0.632108 H\n0.442843 0.123989 0.962933 H\n0.378879 0.045567 0.119802 H\n0.878114 0.545571 0.119873 H\n0.638515 0.673997 0.774506 H\n0.137383 0.173905 0.774651 H\n0.003855 0.214217 0.451344 H\n0.943610 0.624065 0.962863 H\n0.410972 0.333187 0.041365 C\n0.574618 0.400463 0.490126 C\n0.077269 0.900693 0.489694 C\n0.744299 0.349002 0.593080 C\n0.246954 0.849205 0.592648 C\n0.484792 0.533400 0.435184 C\n0.575867 0.611535 0.489617 C\n0.836575 0.427209 0.647621 C\n0.336824 0.927206 0.647582 C\n0.073702 0.111376 0.489963 C\n0.747916 0.559959 0.592801 C\n0.245754 0.059773 0.593147 C\n0.910965 0.833160 0.041366 C\n0.985038 0.033443 0.435145 C\n0.531684 0.219759 0.140041 C\n0.790161 0.818407 0.942697 C\n0.516092 0.869623 0.755607 C\n0.309908 0.215670 0.913418 C\n0.810424 0.715703 0.913358 C\n0.169638 0.512116 0.273464 C\n0.670361 0.012161 0.273370 C\n0.031677 0.719732 0.140041 C\n0.652002 0.744202 0.809289 C\n0.151270 0.244152 0.809384 C\n0.511825 0.087723 0.169323 C\n0.290164 0.318436 0.942695 C\n0.305580 0.583845 0.327151 C\n0.805841 0.083894 0.327113 C\n0.015828 0.369634 0.755645 C\n0.011309 0.587694 0.169383 C\n0.087416 0.452944 0.836590 S\n0.587100 0.952872 0.836632 S\n0.234724 0.748117 0.246114 S\n0.734418 0.248149 0.246154 S\n0.911029 0.943337 0.041364 O\n0.411036 0.443365 0.041363 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.691894936228542,
"density_atomic": 0.09871667220642619,
"volume": 526.7600582327465,
"volume_molar": 6.100429264275762,
"formula_full": "H16 C30 S4 O2",
"formula_reduced": "H8C15S2O",
"formula_anonymous": "AB2C8D15",
"energy_above_hull": 5.772271673076922,
"spacegroup": 5
}
]
}