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=-spacegroup&page=4455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4453",
"results": [
{
"id": "jvasp-12519",
"created_at": "2022-09-04T14:37:05.636208Z",
"updated_at": "2022-09-04T14:37:05.636230Z",
"structure_string": "Zn2 I4 O12\n1.0\n0.000000 5.527940 0.006585\n5.022977 0.000000 0.000000\n0.000000 -0.081343 -9.491113\nZn I O\n2 4 12\ndirect\n0.232871 0.925030 0.744718 Zn\n0.767129 0.425030 0.255282 Zn\n0.261928 0.483462 0.068021 I\n0.738073 0.983462 0.931979 I\n0.266347 -0.005240 0.400482 I\n0.733653 0.494760 0.599518 I\n0.463406 0.649121 0.198674 O\n0.536594 0.149121 0.801326 O\n0.346824 0.701154 0.919707 O\n0.653177 0.201154 0.080293 O\n0.094007 0.201415 0.273238 O\n0.855011 0.637238 0.435029 O\n0.144989 0.137238 0.564972 O\n0.016375 0.161919 0.879770 O\n0.553582 0.182904 0.398313 O\n0.446419 0.682905 0.601687 O\n0.905993 0.701416 0.726762 O\n0.983626 0.661919 0.120230 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zn",
"I",
"O"
],
"chemical_system": "I-O-Zn",
"density": 5.232559998662834,
"density_atomic": 0.06830229315342129,
"volume": 263.5343437089033,
"volume_molar": 8.816893960606867,
"formula_full": "Zn2 I4 O12",
"formula_reduced": "Zn(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.5342715500000004,
"spacegroup": 4
},
{
"id": "jvasp-50294",
"created_at": "2022-09-04T14:37:04.944390Z",
"updated_at": "2022-09-04T14:37:04.944417Z",
"structure_string": "Li2 Bi2 B4 O10\n1.0\n0.000000 5.288528 -0.036367\n4.394145 0.000000 0.000000\n0.000000 -0.667900 -7.424366\nLi Bi B O\n2 2 4 10\ndirect\n0.160806 0.319398 0.109931 Li\n0.839194 0.819398 0.890070 Li\n0.114621 0.343879 0.709056 Bi\n0.885380 0.843879 0.290945 Bi\n0.385201 0.792973 0.936609 B\n0.437240 0.342556 0.407565 B\n0.562760 0.842556 0.592436 B\n0.614800 0.292972 0.063391 B\n0.594373 0.229796 0.264558 O\n0.600773 0.628001 0.036733 O\n0.513015 0.177766 0.575539 O\n0.486985 0.677766 0.424462 O\n0.147522 0.667832 0.972773 O\n0.405628 0.729796 0.735443 O\n0.155896 0.304149 0.368131 O\n0.844104 0.804149 0.631870 O\n0.399228 0.128001 0.963267 O\n0.852479 0.167831 0.027228 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 6.108589408765004,
"density_atomic": 0.10426423456544959,
"volume": 172.63829802251985,
"volume_molar": 5.7758451736580225,
"formula_full": "Li2 Bi2 B4 O10",
"formula_reduced": "LiBiB2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.7290607740740738,
"spacegroup": 4
},
{
"id": "jvasp-104038",
"created_at": "2022-09-04T14:37:05.736435Z",
"updated_at": "2022-09-04T14:37:05.736459Z",
"structure_string": "H20 C14 O12\n1.0\n6.515802 0.000000 -0.751459\n0.000000 5.231817 0.000000\n0.226283 0.000000 10.995253\nH C O\n20 14 12\ndirect\n0.503243 0.697163 0.282691 H\n0.275527 0.284584 0.410042 H\n0.724472 0.784585 0.589957 H\n0.674287 0.167712 0.554214 H\n0.325712 0.667712 0.445786 H\n0.286562 0.678274 0.020506 H\n0.713437 0.178273 0.979493 H\n0.541928 0.375573 0.058583 H\n0.350222 0.995057 0.072165 H\n0.649777 0.495056 0.927835 H\n0.458071 0.875573 0.941416 H\n0.089051 0.666860 0.257830 H\n0.955293 0.448777 0.834082 H\n0.044706 0.948777 0.165918 H\n0.982806 0.539630 0.616373 H\n0.017193 0.039630 0.383626 H\n0.193345 0.080790 0.589798 H\n0.806654 0.580790 0.410202 H\n0.496756 0.197163 0.717308 H\n0.910948 0.166860 0.742170 H\n0.974839 0.809405 0.223855 C\n0.321295 0.872007 -0.008655 C\n0.678705 0.372007 0.008655 C\n0.139884 0.977511 0.914771 C\n0.860115 0.477511 0.085229 C\n0.025160 0.309405 0.776145 C\n0.108733 0.444259 0.670635 C\n0.542204 0.833947 0.357748 C\n0.234949 0.283500 0.588691 C\n0.765050 0.783500 0.411309 C\n0.457795 0.333947 0.642252 C\n0.443110 0.598516 0.698488 C\n0.556889 0.098516 0.301511 C\n0.891266 0.944259 0.329365 C\n0.193003 0.183495 0.847985 O\n0.806997 0.683495 0.152014 O\n0.198274 0.385692 0.466768 O\n0.801725 0.885692 0.533232 O\n0.607191 0.338226 0.557617 O\n0.416317 0.249396 0.276551 O\n0.583682 0.749396 0.723448 O\n0.248548 0.653705 0.717625 O\n0.751451 0.153705 0.282375 O\n0.035272 0.396026 0.089252 O\n0.392808 0.838227 0.442382 O\n0.964728 0.896026 0.910747 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6808223216247065,
"density_atomic": 0.12243416310750123,
"volume": 375.7121283183884,
"volume_molar": 4.918676786896777,
"formula_full": "H20 C14 O12",
"formula_reduced": "H10C7O6",
"formula_anonymous": "A6B7C10",
"energy_above_hull": 4.537920478260869,
"spacegroup": 4
},
{
"id": "jvasp-12522",
"created_at": "2022-09-04T14:37:06.552948Z",
"updated_at": "2022-09-04T14:37:06.552975Z",
"structure_string": "Hg2 I4 O12\n1.0\n0.000000 5.856432 0.014450\n5.576370 0.000000 0.000000\n0.000000 -1.952557 -8.808121\nHg I O\n2 4 12\ndirect\n0.931861 0.747270 0.826815 Hg\n0.068138 0.247270 0.173185 Hg\n0.567372 0.267537 0.848663 I\n0.432628 0.767537 0.151337 I\n0.729376 0.233881 0.433616 I\n0.270623 0.733881 0.566384 I\n0.827319 0.075782 0.934723 O\n0.172680 0.575782 0.065277 O\n0.966450 0.439712 0.415047 O\n0.033549 0.939712 0.584952 O\n0.296380 0.919654 0.295809 O\n0.661127 0.500408 0.993526 O\n0.338872 0.000408 0.006474 O\n0.238528 0.564036 0.739721 O\n0.479854 0.430801 0.351092 O\n0.520146 0.930801 0.648908 O\n0.703620 0.419654 0.704191 O\n0.761471 0.064036 0.260279 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 6.358043409275369,
"density_atomic": 0.06260977635433938,
"volume": 287.4950374863054,
"volume_molar": 9.618531019688932,
"formula_full": "Hg2 I4 O12",
"formula_reduced": "Hg(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.6339704069444445,
"spacegroup": 4
},
{
"id": "jvasp-13113",
"created_at": "2022-09-04T14:37:07.546719Z",
"updated_at": "2022-09-04T14:37:07.546739Z",
"structure_string": "Tl4 Zn2 I8\n1.0\n0.000000 7.809705 -0.064539\n8.062050 0.000000 0.000000\n0.000000 -2.829790 -8.781700\nTl Zn I\n4 2 8\ndirect\n0.250871 0.027492 0.563785 Tl\n0.749128 0.527492 0.436216 Tl\n0.236150 0.017090 0.058406 Tl\n0.763849 0.517090 0.941594 Tl\n0.784341 0.972001 0.198610 Zn\n0.215658 0.472001 0.801390 Zn\n0.034406 0.736319 0.266573 I\n0.965593 0.236319 0.733427 I\n0.975596 0.246611 0.250131 I\n0.024403 0.746611 0.749869 I\n0.410572 0.447314 0.612500 I\n0.589427 0.947314 0.387500 I\n0.405274 0.440505 0.089063 I\n0.594725 0.940505 0.910937 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"I"
],
"chemical_system": "I-Tl-Zn",
"density": 5.881465523638133,
"density_atomic": 0.025253079995472365,
"volume": 554.3878213077401,
"volume_molar": 23.847153539606698,
"formula_full": "Tl4 Zn2 I8",
"formula_reduced": "Tl2ZnI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 4
},
{
"id": "jvasp-101984",
"created_at": "2022-09-04T14:37:07.649796Z",
"updated_at": "2022-09-04T14:37:07.649824Z",
"structure_string": "H28 C32\n1.0\n8.003235 0.000000 -2.795633\n0.000000 5.602917 0.000000\n-0.028679 0.000000 12.044330\nH C\n28 32\ndirect\n0.253256 0.778713 0.103663 H\n0.631897 0.479111 0.520989 H\n0.368103 0.979112 0.479011 H\n0.694114 0.487415 0.336209 H\n0.305885 0.987415 0.663791 H\n0.836327 0.836494 0.284484 H\n0.163672 0.336493 0.715516 H\n0.085388 0.685114 0.577395 H\n0.850283 0.179544 0.607414 H\n0.149716 0.679544 0.392587 H\n0.563939 0.676458 0.793658 H\n0.436060 0.176457 0.206343 H\n0.511735 0.553822 0.642820 H\n0.488265 0.053822 0.357180 H\n0.914611 0.185113 0.422605 H\n0.008147 0.849235 0.081135 H\n0.991853 0.349235 0.918865 H\n0.746743 0.278713 0.896337 H\n0.443850 0.656768 0.214776 H\n0.556150 0.156767 0.785224 H\n0.997382 0.658516 0.761908 H\n0.693882 0.157098 0.158528 H\n0.002617 0.158516 0.238092 H\n0.306117 0.657099 0.841472 H\n0.540666 0.500134 0.037464 H\n0.459333 0.000134 0.962536 H\n0.703704 0.841681 0.997163 H\n0.296295 0.341681 0.002837 H\n0.735274 0.830061 0.578750 C\n0.301955 0.328166 0.309272 C\n0.698045 0.828166 0.690728 C\n0.264725 0.330061 0.421251 C\n0.585380 0.677791 0.709442 C\n0.184742 0.527024 0.451818 C\n0.726908 0.640775 0.394886 C\n0.148915 0.530809 0.556888 C\n0.851084 0.030809 0.443112 C\n0.193032 0.337526 0.634041 C\n0.806967 0.837526 0.365959 C\n0.273091 0.140775 0.605114 C\n0.414620 0.177790 0.290559 C\n0.815257 0.027023 0.548182 C\n0.058675 0.194458 0.902525 C\n0.691634 0.154509 0.824532 C\n0.232509 0.191548 0.949234 C\n0.767490 0.691549 0.050766 C\n0.323193 0.999768 0.927095 C\n0.676806 0.499768 0.072905 C\n0.237418 0.808476 0.859409 C\n0.762582 0.308475 0.140591 C\n0.063034 0.809795 0.813814 C\n0.936966 0.309794 0.186186 C\n0.970078 0.003472 0.833646 C\n0.029922 0.503473 0.166354 C\n0.784676 0.004031 0.784638 C\n0.215323 0.504032 0.215362 C\n0.308352 0.136497 0.500280 C\n0.308365 0.654509 0.175468 C\n0.941324 0.694459 0.097475 C\n0.691648 0.636497 0.499720 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2695217838546333,
"density_atomic": 0.11118602990921175,
"volume": 539.6361399808287,
"volume_molar": 5.41627465691269,
"formula_full": "H28 C32",
"formula_reduced": "H7C8",
"formula_anonymous": "A7B8",
"energy_above_hull": 5.490373333333333,
"spacegroup": 4
},
{
"id": "jvasp-34452",
"created_at": "2022-09-04T14:37:09.952738Z",
"updated_at": "2022-09-04T14:37:09.952760Z",
"structure_string": "K2 Te2 H2 O2 F8\n1.0\n0.000000 4.963897 -0.060581\n6.666590 0.000000 0.000000\n0.000000 -2.116143 -7.285734\nK Te H O F\n2 2 2 2 8\ndirect\n0.656722 0.923352 0.299030 K\n0.343279 0.423352 0.700970 K\n0.945502 0.867467 0.832417 Te\n0.054499 0.367467 0.167583 Te\n0.744523 0.401535 0.372482 H\n0.255478 0.901535 0.627517 H\n0.930128 0.335497 0.386067 O\n0.069873 0.835497 0.613932 O\n0.898158 0.648649 0.161837 F\n0.666482 0.268217 0.038407 F\n0.421238 0.468540 0.361282 F\n0.578763 0.968540 0.638717 F\n0.844755 0.571743 0.775839 F\n0.101843 0.148649 0.838162 F\n0.155246 0.071743 0.224161 F\n0.333519 0.768217 0.961593 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Te",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-O-Te",
"density": 3.5646199355803914,
"density_atomic": 0.06612770051184581,
"volume": 241.956092169481,
"volume_molar": 9.106835279900928,
"formula_full": "K2 Te2 H2 O2 F8",
"formula_reduced": "KTeHOF4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 0.3693550495833333,
"spacegroup": 4
},
{
"id": "jvasp-10883",
"created_at": "2022-09-04T14:37:10.258477Z",
"updated_at": "2022-09-04T14:37:10.258497Z",
"structure_string": "K2 Tb2 Ge2 S8\n1.0\n0.000000 6.507711 0.019635\n6.669362 0.000000 0.000000\n0.000000 -2.614400 -8.140995\nTb K Ge S\n2 2 2 8\ndirect\n0.229570 0.363853 0.552256 Tb\n0.770429 0.863853 0.447743 Tb\n0.738220 0.877127 0.937123 K\n0.261779 0.377127 0.062876 K\n0.220696 0.897332 0.321114 Ge\n0.779304 0.397332 0.678885 Ge\n0.031919 0.637642 0.723356 S\n0.423353 0.900697 0.157176 S\n0.565992 0.464290 0.424193 S\n0.434007 0.964290 0.575806 S\n0.576647 0.400697 0.842823 S\n0.011693 0.624789 0.292680 S\n0.968080 0.137642 0.276643 S\n0.988307 0.124789 0.707319 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S-Tb",
"density": 3.753183944687832,
"density_atomic": 0.03966057518681861,
"volume": 352.9953848136063,
"volume_molar": 15.184199249842166,
"formula_full": "K2 Tb2 Ge2 S8",
"formula_reduced": "KTbGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2532189071428572,
"spacegroup": 4
},
{
"id": "jvasp-10884",
"created_at": "2022-09-04T14:37:10.720637Z",
"updated_at": "2022-09-04T14:37:10.720660Z",
"structure_string": "K2 Pr2 Ge2 Se8\n1.0\n0.000000 6.915940 -0.000301\n7.071308 0.000000 0.000000\n0.000000 -2.755940 -8.482077\nK Pr Ge Se\n2 2 2 8\ndirect\n0.254933 0.495468 0.062229 K\n0.745067 0.995469 0.937771 K\n0.230644 0.498494 0.554135 Pr\n0.769356 -0.001506 0.445866 Pr\n0.217628 0.968122 0.315143 Ge\n0.782372 0.468122 0.684857 Ge\n0.009018 0.243814 0.278971 Se\n0.965115 0.724395 0.264921 Se\n0.582323 0.462525 0.855304 Se\n0.417677 0.962525 0.144696 Se\n0.423678 0.910483 0.580654 Se\n0.576322 0.410483 0.419346 Se\n0.034885 0.224395 0.735079 Se\n0.990983 0.743814 0.721030 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ge",
"Se"
],
"chemical_system": "Ge-K-Pr-Se",
"density": 4.551342369380662,
"density_atomic": 0.03374960644741337,
"volume": 414.8196519510225,
"volume_molar": 17.8435881004519,
"formula_full": "K2 Pr2 Ge2 Se8",
"formula_reduced": "KPrGeSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9936624666666668,
"spacegroup": 4
},
{
"id": "jvasp-29862",
"created_at": "2022-09-04T14:37:12.864974Z",
"updated_at": "2022-09-04T14:37:12.864999Z",
"structure_string": "Mo4 H4 O14\n1.0\n8.969751 0.000000 -2.073539\n0.000000 3.778309 0.000000\n0.028266 0.000000 7.173280\nMo H O\n4 4 14\ndirect\n0.968953 0.252955 0.187021 Mo\n0.031047 0.752955 0.812979 Mo\n0.436925 0.704923 0.167781 Mo\n0.563075 0.204923 0.832219 Mo\n0.712372 0.959020 0.322519 H\n0.287628 0.459020 0.677481 H\n0.280123 0.874316 0.394686 H\n0.719878 0.374316 0.605314 H\n0.258001 0.759900 0.018402 O\n0.741999 0.259899 0.981598 O\n0.533089 0.740651 0.890206 O\n0.466911 0.240651 0.109794 O\n0.849029 0.731776 0.690427 O\n0.150971 0.231776 0.309573 O\n0.873672 0.232276 0.366022 O\n0.962369 0.748190 0.103950 O\n0.126328 0.732276 0.633978 O\n0.377949 0.758851 0.393770 O\n0.360358 0.263873 0.711823 O\n0.639643 0.763873 0.288177 O\n0.037631 0.248189 0.896050 O\n0.622051 0.258851 0.606230 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 4.174992395247334,
"density_atomic": 0.09041315237236083,
"volume": 243.3274299450858,
"volume_molar": 6.6606910631743,
"formula_full": "Mo4 H4 O14",
"formula_reduced": "Mo2H2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.584952390909091,
"spacegroup": 4
},
{
"id": "jvasp-101856",
"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.9139630856262788,
"density_atomic": 0.07802395528655667,
"volume": 205.06522568917703,
"volume_molar": 7.718322838008701,
"formula_full": "H4 C4 S4 N4",
"formula_reduced": "HCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.9145508125,
"spacegroup": 4
},
{
"id": "jvasp-13085",
"created_at": "2022-09-04T14:37:16.598155Z",
"updated_at": "2022-09-04T14:37:16.598182Z",
"structure_string": "Au2 Br2 F12\n1.0\n0.000000 5.265502 -0.133457\n5.644145 0.000000 0.000000\n0.000000 -1.522114 -8.489606\nAu Br F\n2 2 12\ndirect\n0.250145 0.243327 0.096246 Au\n0.749856 0.743326 0.903755 Au\n0.460303 0.258563 0.667961 Br\n0.539698 0.758563 0.332040 Br\n0.810557 0.589687 0.424040 F\n0.189444 0.089687 0.575961 F\n0.707424 0.035289 0.372299 F\n0.292576 0.535289 0.627702 F\n0.819197 0.549615 0.090109 F\n0.180804 0.049615 0.909892 F\n0.711592 0.019286 0.031074 F\n0.288409 0.519286 0.968927 F\n0.680478 0.933059 0.705741 F\n0.319522 0.433060 0.294260 F\n0.792846 0.461169 0.770192 F\n0.207155 0.961169 0.229809 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Au",
"Br",
"F"
],
"chemical_system": "Au-Br-F",
"density": 5.121614325223917,
"density_atomic": 0.06312849494164906,
"volume": 253.45131409816,
"volume_molar": 9.539496808163074,
"formula_full": "Au2 Br2 F12",
"formula_reduced": "AuBrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 4
}
]
}