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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=253",
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"results": [
{
"id": "jvasp-10563",
"created_at": "2022-09-04T14:36:50.958351Z",
"updated_at": "2022-09-04T14:36:50.958373Z",
"structure_string": "Rb2 Hf2 Ag2 Te6\n1.0\n0.000000 8.984213 -0.068332\n4.224207 0.000000 0.000000\n0.000000 -4.056343 -10.118002\nRb Hf Ag Te\n2 2 2 6\ndirect\n0.743767 0.750001 0.711921 Rb\n0.256232 0.250000 0.288079 Rb\n0.696548 0.250000 0.166378 Hf\n0.303451 0.750001 0.833622 Hf\n0.072930 0.250000 0.601827 Ag\n0.927070 0.750001 0.398172 Ag\n0.731606 0.250000 0.435178 Te\n0.904100 0.750001 0.135107 Te\n0.453377 0.750001 0.126274 Te\n0.268393 0.750001 0.564822 Te\n0.546623 0.250000 0.873726 Te\n0.095900 0.250000 0.864892 Te\n",
"nsites": 12,
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],
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"density": 6.506817632412674,
"density_atomic": 0.031155808330680802,
"volume": 385.16092641971204,
"volume_molar": 19.329110951262575,
"formula_full": "Rb2 Hf2 Ag2 Te6",
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{
"id": "jvasp-52825",
"created_at": "2022-09-04T14:36:13.762685Z",
"updated_at": "2022-09-04T14:36:13.762716Z",
"structure_string": "Rb3 H3 Se3 O12\n1.0\n-4.631904 0.003311 0.003781\n-0.077088 -7.516054 -0.003675\n2.228007 3.732364 9.636576\nRb H Se O\n3 3 3 12\ndirect\n0.997883 0.492660 0.000268 Rb\n0.427913 0.919944 0.670295 Rb\n0.570698 0.251099 0.328702 Rb\n0.457083 0.873156 0.008111 H\n0.852890 0.554277 0.685036 H\n0.147236 0.870641 0.316379 H\n0.989522 0.001218 0.997150 Se\n0.295312 0.407016 0.665143 Se\n0.706943 0.742462 0.334527 Se\n0.929833 0.848872 0.260355 O\n0.070532 0.588447 0.740264 O\n0.918456 0.691763 0.461423 O\n0.085079 0.231694 0.537813 O\n0.475646 0.908672 0.393667 O\n0.290593 0.891350 0.064303 O\n0.945629 0.187608 0.131101 O\n0.065671 0.060863 0.871439 O\n0.468027 0.346506 0.795222 O\n0.706295 0.834714 0.935652 O\n0.524728 0.513551 0.606590 O\n0.536121 0.553897 0.203775 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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],
"chemical_system": "H-O-Rb-Se",
"density": 3.4068516905959405,
"density_atomic": 0.06259586468737265,
"volume": 335.48542072039294,
"volume_molar": 9.620668697647748,
"formula_full": "Rb3 H3 Se3 O12",
"formula_reduced": "RbHSeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 1
},
{
"id": "jvasp-88825",
"created_at": "2022-09-04T14:35:44.735847Z",
"updated_at": "2022-09-04T14:35:44.735879Z",
"structure_string": "Rb4 H4 Se4 O16\n1.0\n12.917694 0.000000 0.000000\n0.000000 4.605837 0.000000\n0.000000 0.000000 7.478999\nRb H Se O\n4 4 4 16\ndirect\n0.877846 0.817838 0.452278 Rb\n0.622154 0.182162 0.952278 Rb\n0.377846 0.682163 0.547722 Rb\n0.122154 0.317838 0.047722 Rb\n0.886211 0.272730 0.825492 H\n0.613788 0.727270 0.325492 H\n0.386211 0.227270 0.174508 H\n0.113788 0.772730 0.674508 H\n0.124891 0.226068 0.535870 Se\n0.375109 0.773933 0.035870 Se\n0.624891 0.273932 0.464130 Se\n0.875109 0.726068 0.964130 Se\n0.571354 0.536364 0.318170 O\n0.928645 0.463637 0.818170 O\n0.172508 0.481005 0.672157 O\n0.327492 0.518995 0.172157 O\n0.672508 0.018995 0.327843 O\n0.827492 0.981006 0.827843 O\n0.025945 0.341999 0.416305 O\n0.716389 0.429301 0.583780 O\n0.525944 0.158001 0.583696 O\n0.974055 0.841999 0.083696 O\n0.216389 0.070699 0.416220 O\n0.283611 0.929301 0.916220 O\n0.428646 0.036364 0.181830 O\n0.783611 0.570700 0.083780 O\n0.474055 0.658002 0.916305 O\n0.071354 0.963637 0.681830 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 3.4247477123662864,
"density_atomic": 0.06292467763813037,
"volume": 444.97645519971456,
"volume_molar": 9.570395886066125,
"formula_full": "Rb4 H4 Se4 O16",
"formula_reduced": "RbHSeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-23959",
"created_at": "2022-09-04T14:37:44.721086Z",
"updated_at": "2022-09-04T14:37:44.721098Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.169622 -0.000000 0.000000\n-0.000000 7.957642 0.000000\n0.000000 0.000000 8.363844\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.256215 0.046068 Rb\n0.250000 0.743785 0.953932 Rb\n0.750000 0.756215 0.453932 Rb\n0.250000 0.243785 0.546067 Rb\n0.558756 0.468387 0.764490 H\n0.058756 0.531613 0.235509 H\n0.441244 0.031613 0.264491 H\n0.941244 0.968386 0.735509 H\n0.941244 0.468387 0.764490 H\n0.058756 0.031613 0.264491 H\n0.558756 0.968386 0.735509 H\n0.441244 0.531613 0.235509 H\n0.750000 0.506484 0.701629 O\n0.250000 0.493516 0.298371 O\n0.750000 0.006484 0.798371 O\n0.250000 0.993516 0.201629 O\n0.750000 0.601983 0.140152 F\n0.750000 0.101983 0.359848 F\n0.250000 0.898017 0.640151 F\n0.250000 0.398017 0.859848 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-H-O-Rb",
"density": 2.9315176893373014,
"density_atomic": 0.07206808617304543,
"volume": 277.5153478056464,
"volume_molar": 8.3561824377298,
"formula_full": "Rb4 H8 O4 F4",
"formula_reduced": "RbH2OF",
"formula_anonymous": "ABCD2",
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},
{
"id": "jvasp-38173",
"created_at": "2022-09-04T14:38:32.770188Z",
"updated_at": "2022-09-04T14:38:32.770223Z",
"structure_string": "Rb4 H4 C4 O10\n1.0\n-4.561206 -3.281658 -0.032820\n4.561206 -3.281658 0.032820\n1.156834 3.281658 10.387723\nRb H C O\n4 4 4 10\ndirect\n0.164722 0.307145 0.135284 Rb\n0.671862 0.029437 0.364715 Rb\n0.328140 0.970563 0.635284 Rb\n0.835279 0.692855 0.864715 Rb\n0.751766 0.633923 0.191505 H\n0.942419 0.560261 0.308496 H\n0.057581 0.439737 0.691504 H\n0.248233 0.366076 0.808496 H\n0.499831 0.090146 0.948289 C\n0.641857 0.551540 0.551711 C\n0.500172 0.909854 0.051712 C\n0.358142 0.448458 0.448289 C\n0.698059 0.158361 0.908344 O\n0.704328 0.849553 0.088739 O\n0.301942 0.841639 0.091656 O\n0.757310 0.507309 0.250000 O\n0.249984 0.210286 0.408345 O\n0.260815 0.615588 0.411261 O\n0.739184 0.384411 0.588739 O\n0.750019 0.789715 0.591656 O\n0.242691 0.492691 0.750000 O\n0.295672 0.150446 0.911261 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Rb",
"density": 2.960304774670233,
"density_atomic": 0.0708023170494116,
"volume": 310.7242943002362,
"volume_molar": 8.505570171944036,
"formula_full": "Rb4 H4 C4 O10",
"formula_reduced": "Rb2H2C2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 2.877877954545454,
"spacegroup": 15
},
{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-H-O-Rb",
"density": 2.8073031624803075,
"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
"volume_molar": 9.296127450632786,
"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 57
},
{
"id": "jvasp-12584",
"created_at": "2022-09-04T14:38:09.940998Z",
"updated_at": "2022-09-04T14:38:09.941029Z",
"structure_string": "Rb4 H2 Br2 O2\n1.0\n0.000000 6.871740 0.099452\n4.457018 0.000000 0.000000\n0.000000 -2.681023 -8.477584\nRb H Br O\n4 2 2 2\ndirect\n0.717292 0.750000 0.963108 Rb\n0.292928 0.250000 0.615087 Rb\n0.707072 0.750000 0.384913 Rb\n0.282709 0.250000 0.036892 Rb\n0.843788 0.250000 0.212036 H\n0.156212 0.750000 0.787963 H\n0.822435 0.250000 0.698348 Br\n0.177565 0.750000 0.301652 Br\n0.693835 0.250000 0.171950 O\n0.306165 0.750000 0.828049 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"H",
"Br",
"O"
],
"chemical_system": "Br-H-O-Rb",
"density": 3.4417147746756207,
"density_atomic": 0.038690923323654376,
"volume": 258.4585515405967,
"volume_molar": 15.564737780031884,
"formula_full": "Rb4 H2 Br2 O2",
"formula_reduced": "Rb2HBrO",
"formula_anonymous": "ABCD2",
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"spacegroup": 11
},
{
"id": "jvasp-41753",
"created_at": "2022-09-04T14:37:28.421840Z",
"updated_at": "2022-09-04T14:37:28.421865Z",
"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.264687 -0.013952 0.017203\n3.596363 9.052565 -0.101900\n-0.074617 -2.336050 -11.700006\nRb Ge P Se\n6 2 2 14\ndirect\n0.933089 0.474256 0.209169 Rb\n0.066913 0.525745 0.790831 Rb\n0.315143 0.125609 0.603558 Rb\n0.684858 0.874392 0.396443 Rb\n0.386551 0.196982 0.986229 Rb\n0.613451 0.803019 0.013771 Rb\n0.601961 0.560705 0.630664 Ge\n0.398041 0.439296 0.369336 Ge\n0.768857 0.072217 0.780482 P\n0.231145 0.927784 0.219518 P\n0.456490 0.922855 0.776461 Se\n0.543511 0.077146 0.223540 Se\n0.466989 0.522407 0.198628 Se\n0.533013 0.477594 0.801373 Se\n0.344465 0.609298 0.533076 Se\n0.655537 0.390703 0.466925 Se\n0.107570 0.772879 0.054350 Se\n0.925572 0.763772 0.632544 Se\n0.037200 0.064528 0.191874 Se\n0.962802 0.935473 0.808126 Se\n0.844664 0.172547 0.627759 Se\n0.892432 0.227122 0.945651 Se\n0.074429 0.236229 0.367456 Se\n0.155338 0.827454 0.372242 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"P",
"Se"
],
"chemical_system": "Ge-P-Rb-Se",
"density": 3.9344217724278883,
"density_atomic": 0.03115066555945592,
"volume": 770.4490279410642,
"volume_molar": 19.332302061109424,
"formula_full": "Rb6 Ge2 P2 Se14",
"formula_reduced": "Rb3GePSe7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 2
},
{
"id": "jvasp-26365",
"created_at": "2022-09-04T14:37:47.759341Z",
"updated_at": "2022-09-04T14:37:47.759350Z",
"structure_string": "Rb1 Ge1 I1 O6\n1.0\n5.105494 0.000042 -0.000055\n2.552704 4.421549 -0.000046\n0.000046 -0.000030 6.361379\nRb Ge I O\n1 1 1 6\ndirect\n0.999998 0.000002 -0.000000 Rb\n0.333329 0.333334 0.500000 Ge\n0.666666 0.666666 0.500001 I\n0.997852 0.617820 0.328865 O\n0.617816 0.997849 0.671134 O\n0.384332 0.617816 0.671134 O\n0.997852 0.384326 0.671136 O\n0.617817 0.384333 0.328867 O\n0.384332 0.997853 0.328866 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ge-I-O-Rb",
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"density_atomic": 0.06267308730549194,
"volume": 143.60230821453956,
"volume_molar": 9.608814594765128,
"formula_full": "Rb1 Ge1 I1 O6",
"formula_reduced": "RbGeIO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 149
},
{
"id": "jvasp-24267",
"created_at": "2022-09-04T14:38:19.472626Z",
"updated_at": "2022-09-04T14:38:19.472650Z",
"structure_string": "Rb4 Ge4 Bi4 S16\n1.0\n0.000000 6.634649 -0.007339\n6.811080 0.000000 0.000000\n0.000000 -5.624196 -16.935074\nRb Ge Bi S\n4 4 4 16\ndirect\n0.275130 0.746760 0.533868 Rb\n0.724869 0.246760 0.966132 Rb\n0.724870 0.253240 0.466132 Rb\n0.275130 0.753240 0.033868 Rb\n0.206377 0.230677 0.658654 Ge\n0.793622 0.730677 0.841346 Ge\n0.793623 0.769323 0.341346 Ge\n0.206377 0.269323 0.158654 Ge\n0.761673 0.215330 0.220681 Bi\n0.761673 0.284670 0.720681 Bi\n0.238327 0.715330 0.279319 Bi\n0.238326 0.784670 0.779319 Bi\n0.582950 0.826382 0.216814 S\n-0.002401 0.501547 0.355798 S\n0.582950 0.673618 0.716814 S\n0.586901 0.757933 0.418176 S\n0.030246 0.012244 0.364189 S\n0.413098 0.242067 0.581824 S\n0.969753 0.987756 0.635811 S\n0.586901 0.742067 0.918176 S\n0.417050 0.326382 0.283186 S\n-0.002401 -0.001547 0.855798 S\n0.002400 0.498454 0.644202 S\n0.002400 0.001547 0.144202 S\n0.417049 0.173618 0.783186 S\n0.969754 0.512244 0.135811 S\n0.413099 0.257933 0.081824 S\n0.030246 0.487756 0.864189 S\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Bi-Ge-Rb-S",
"density": 4.297730048020806,
"density_atomic": 0.03657442323324254,
"volume": 765.5623117127044,
"volume_molar": 16.465442863160366,
"formula_full": "Rb4 Ge4 Bi4 S16",
"formula_reduced": "RbGeBiS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-97677",
"created_at": "2022-09-04T14:35:41.785390Z",
"updated_at": "2022-09-04T14:35:41.785420Z",
"structure_string": "Rb8 Ge4 B16 O36\n1.0\n6.603533 0.000000 -0.041575\n0.000000 9.955903 0.000000\n0.004471 0.000000 13.206224\nRb Ge B O\n8 4 16 36\ndirect\n0.777785 0.376118 0.118705 Rb\n0.222214 0.876118 0.881294 Rb\n0.253198 0.655067 0.116903 Rb\n0.746801 0.155067 0.883097 Rb\n0.771156 0.154723 0.366097 Rb\n0.228844 0.654723 0.633903 Rb\n0.706816 0.430867 0.626349 Rb\n0.293183 0.930867 0.373651 Rb\n0.243916 0.158387 0.616054 Ge\n0.756084 0.658387 0.383945 Ge\n0.741412 0.647504 0.870574 Ge\n0.258587 0.147504 0.129425 Ge\n0.130123 0.349814 0.754660 B\n0.869877 0.849814 0.245339 B\n0.046340 0.462489 0.426179 B\n0.953660 0.962489 0.573821 B\n0.340290 0.342328 0.983410 B\n0.503880 0.960530 0.678078 B\n0.496119 0.460530 0.321921 B\n0.659709 0.842328 0.016589 B\n0.192482 0.322432 0.291747 B\n0.068152 0.481208 0.908715 B\n0.931847 0.981208 0.091284 B\n0.652908 0.821528 0.544652 B\n0.347092 0.321528 0.455347 B\n0.399974 0.485458 0.836751 B\n0.600025 0.985458 0.163248 B\n0.807517 0.822432 0.708252 B\n0.732022 0.740292 0.625809 O\n0.521148 0.407344 0.417449 O\n0.478852 0.907343 0.582550 O\n0.024769 0.414197 0.329623 O\n0.975230 0.914197 0.670376 O\n0.189224 0.417780 0.493931 O\n0.810775 0.917779 0.506068 O\n0.988688 0.395218 0.821881 O\n0.325458 0.394696 0.750802 O\n0.011311 0.895218 0.178118 O\n0.358034 0.414634 0.252576 O\n0.641965 0.914634 0.747424 O\n0.520115 0.894811 0.082043 O\n0.479884 0.394811 0.917957 O\n0.267977 0.240292 0.374191 O\n0.674541 0.894696 0.249198 O\n0.232499 0.565602 0.874127 O\n0.584373 0.741744 0.954615 O\n0.562194 0.565099 0.793476 O\n0.938091 0.752896 0.314273 O\n0.061909 0.252896 0.685726 O\n0.415627 0.241744 0.045384 O\n0.856854 0.885114 0.010554 O\n0.575270 0.740047 0.459422 O\n0.424729 0.240047 0.540577 O\n0.918347 0.562009 0.463958 O\n0.081653 0.062009 0.536041 O\n0.098931 0.056362 0.046375 O\n0.901069 0.556361 0.953624 O\n0.618650 0.566827 0.289618 O\n0.381349 0.066827 0.710381 O\n0.104278 0.243933 0.210066 O\n0.895722 0.743933 0.789933 O\n0.437806 0.065099 0.206523 O\n0.767501 0.065602 0.125872 O\n0.143145 0.385114 0.989445 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
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"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-O-Rb",
"density": 3.2958125578086563,
"density_atomic": 0.07371288002506271,
"volume": 868.2336109814148,
"volume_molar": 8.169726590458065,
"formula_full": "Rb8 Ge4 B16 O36",
"formula_reduced": "Rb2GeB4O9",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 2.8547042364583333,
"spacegroup": 4
},
{
"id": "jvasp-108593",
"created_at": "2022-09-04T14:38:17.630916Z",
"updated_at": "2022-09-04T14:38:17.630940Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n7.223212 -0.000000 4.170324\n2.407737 6.810110 4.170324\n-0.000000 -0.000000 8.340647\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756859 0.243141 0.243140 I\n0.243141 0.243141 0.756860 I\n0.243141 0.756859 0.756859 I\n0.243141 0.756859 0.243140 I\n0.756859 0.243141 0.756859 I\n0.756859 0.756859 0.243140 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"I"
],
"chemical_system": "Ga-Hg-I-Rb",
"density": 4.867582298886086,
"density_atomic": 0.024373380620771677,
"volume": 410.28366789126164,
"volume_molar": 24.707859995702698,
"formula_full": "Rb2 Ga1 Hg1 I6",
"formula_reduced": "Rb2GaHgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}