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=-nelements&page=20",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=18",
"results": [
{
"id": "jvasp-33320",
"created_at": "2022-09-04T14:37:06.912879Z",
"updated_at": "2022-09-04T14:37:06.912897Z",
"structure_string": "Ti1 H12 C2 N6 F6\n1.0\n5.896240 3.710793 -2.619366\n-5.896240 3.710793 2.619366\n-0.074416 0.000000 5.977517\nTi H C N F\n1 12 2 6 6\ndirect\n0.067422 0.932577 0.585264 Ti\n0.053266 0.629571 0.313597 H\n0.370428 0.946734 0.313597 H\n0.055694 0.391861 0.327154 H\n0.608138 0.944305 0.327154 H\n0.371347 0.392505 0.324363 H\n0.607494 0.628653 0.324363 H\n0.763474 0.472665 0.846281 H\n0.527334 0.236525 0.846281 H\n0.079117 0.473331 0.843414 H\n0.526668 0.920882 0.843414 H\n0.081504 0.235641 0.856804 H\n0.764358 0.918495 0.856804 H\n0.342279 0.657720 0.310828 C\n0.792528 0.207471 0.859732 C\n0.133688 0.553790 0.307713 N\n0.446209 0.866311 0.307713 N\n0.446263 0.553736 0.311497 N\n0.688573 0.311426 0.859213 N\n0.001105 0.311410 0.862774 N\n0.688589 0.998894 0.862774 N\n0.227982 0.772017 0.760941 F\n0.906859 0.093140 0.409588 F\n0.261616 0.100036 0.375068 F\n0.899963 0.738383 0.375068 F\n0.234863 0.126774 0.795453 F\n0.873225 0.765136 0.795453 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Ti",
"density": 1.8002634888659936,
"density_atomic": 0.10379575949786786,
"volume": 260.12623377503803,
"volume_molar": 5.801914056155352,
"formula_full": "Ti1 H12 C2 N6 F6",
"formula_reduced": "TiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.6034873899382713,
"spacegroup": 12
},
{
"id": "jvasp-56689",
"created_at": "2022-09-04T14:37:06.968210Z",
"updated_at": "2022-09-04T14:37:06.968238Z",
"structure_string": "K2 Mo2 P2 Cl2 O10\n1.0\n6.486858 0.000000 0.000000\n0.000000 6.486858 -0.000000\n0.000000 0.000000 7.269173\nK Mo P Cl O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.098244 Mo\n0.500000 0.000000 0.901755 Mo\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.545870 Cl\n0.000000 0.500000 0.454129 Cl\n0.812294 0.000000 0.869159 O\n0.500000 0.687706 0.869159 O\n0.687706 0.500000 0.130841 O\n0.312294 0.500000 0.130841 O\n0.000000 0.812294 0.130841 O\n0.187706 0.000000 0.869159 O\n0.500000 0.312294 0.869159 O\n0.000000 0.500000 0.868522 O\n0.500000 0.000000 0.131478 O\n0.000000 0.187706 0.130841 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Mo",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-K-Mo-O-P",
"density": 3.0559424481733086,
"density_atomic": 0.05884623990762427,
"volume": 305.8819055942413,
"volume_molar": 10.233688285697516,
"formula_full": "K2 Mo2 P2 Cl2 O10",
"formula_reduced": "KMoPClO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.4153867741666666,
"spacegroup": 129
},
{
"id": "jvasp-55752",
"created_at": "2022-09-04T14:37:07.136913Z",
"updated_at": "2022-09-04T14:37:07.136939Z",
"structure_string": "K2 Co1 Pb1 N6 O12\n1.0\n6.360978 0.000000 3.672512\n2.120326 5.997188 3.672512\n0.000000 0.000000 7.345026\nK Co Pb N O\n2 1 1 6 12\ndirect\n0.750002 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pb\n0.809171 0.190831 0.190828 N\n0.190830 0.809171 0.809169 N\n0.190830 0.809171 0.190828 N\n0.809171 0.190831 0.809169 N\n0.809171 0.809171 0.190829 N\n0.190830 0.190831 0.809171 N\n0.357606 0.149228 0.642394 O\n0.850774 0.642393 0.149227 O\n0.149228 0.642393 0.357606 O\n0.642395 0.850771 0.357605 O\n0.149230 0.850771 0.642395 O\n0.357608 0.850771 0.149226 O\n0.642394 0.149228 0.850771 O\n0.357606 0.642393 0.850772 O\n0.642393 0.357606 0.149229 O\n0.850771 0.357606 0.642394 O\n0.850772 0.149228 0.357606 O\n0.149228 0.357606 0.850772 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Co",
"Pb",
"N",
"O"
],
"chemical_system": "Co-K-N-O-Pb",
"density": 3.676460863067429,
"density_atomic": 0.07851593133028471,
"volume": 280.1979117773553,
"volume_molar": 7.669960297187706,
"formula_full": "K2 Co1 Pb1 N6 O12",
"formula_reduced": "K2CoPb(NO2)6",
"formula_anonymous": "ABC2D6E12",
"energy_above_hull": 3.5200704190909096,
"spacegroup": 202
},
{
"id": "jvasp-8414",
"created_at": "2022-09-04T14:37:07.206305Z",
"updated_at": "2022-09-04T14:37:07.206332Z",
"structure_string": "Ba1 Y1 Co1 Cu1 O5\n1.0\n3.875028 0.000000 0.000000\n0.000000 3.875028 0.000000\n0.000000 -0.000000 7.519196\nBa Y Co Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.971839 Ba\n0.000000 0.000000 0.461497 Y\n0.500000 0.500000 0.696577 Co\n0.500000 0.500000 0.243118 Cu\n0.000000 0.500000 0.654676 O\n0.500000 0.000000 0.654676 O\n0.000000 0.500000 0.278342 O\n0.500000 0.000000 0.278342 O\n0.500000 0.500000 0.948855 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Y",
"density": 6.305080683577841,
"density_atomic": 0.0797115793381639,
"volume": 112.90705910892704,
"volume_molar": 7.554913363906654,
"formula_full": "Ba1 Y1 Co1 Cu1 O5",
"formula_reduced": "BaYCoCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.066883363333333,
"spacegroup": 99
},
{
"id": "jvasp-8420",
"created_at": "2022-09-04T14:37:07.362021Z",
"updated_at": "2022-09-04T14:37:07.362040Z",
"structure_string": "Ba1 Y1 Cu1 W1 O5\n1.0\n3.967810 0.000000 0.000000\n0.000000 3.967810 -0.000000\n0.000000 -0.000000 7.788553\nBa Y Cu W O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.003427 Ba\n0.000000 0.000000 0.560200 Y\n0.500000 0.500000 0.709108 Cu\n0.500000 0.500000 0.330614 W\n0.500000 0.000000 0.341548 O\n0.000000 0.500000 0.341548 O\n0.500000 0.000000 0.724307 O\n0.000000 0.500000 0.724307 O\n0.500000 0.500000 0.077022 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"W",
"O"
],
"chemical_system": "Ba-Cu-O-W-Y",
"density": 7.497200027362598,
"density_atomic": 0.07339796087418815,
"volume": 122.61921029968325,
"volume_molar": 8.204779381163714,
"formula_full": "Ba1 Y1 Cu1 W1 O5",
"formula_reduced": "BaYCuWO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.6633365966666664,
"spacegroup": 99
},
{
"id": "jvasp-11800",
"created_at": "2022-09-04T14:37:07.370685Z",
"updated_at": "2022-09-04T14:37:07.370716Z",
"structure_string": "Ba1 Mn1 V2 Ag2 O8\n1.0\n2.775925 -4.808043 -0.000000\n2.775925 4.808043 0.000000\n0.000000 -0.000000 7.326711\nBa Mn V Ag O\n1 1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.251640 V\n0.666666 0.333332 0.748359 V\n0.666666 0.333332 0.312215 Ag\n0.333332 0.666666 0.687785 Ag\n0.333332 0.666666 0.019163 O\n0.666666 0.333332 0.980837 O\n0.079995 0.749359 0.323598 O\n0.669363 0.920003 0.323598 O\n0.250640 0.330635 0.323598 O\n0.920003 0.250640 0.676402 O\n0.749358 0.669363 0.676402 O\n0.330635 0.079995 0.676402 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-Mn-O-V",
"density": 5.41592589279954,
"density_atomic": 0.07158349647105323,
"volume": 195.5758057398228,
"volume_molar": 8.41275022439735,
"formula_full": "Ba1 Mn1 V2 Ag2 O8",
"formula_reduced": "BaMnV2(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6271660093842364,
"spacegroup": 147
},
{
"id": "jvasp-42706",
"created_at": "2022-09-04T14:37:11.994442Z",
"updated_at": "2022-09-04T14:37:11.994461Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.3621910804710216,
"density_atomic": 0.10028380414820393,
"volume": 239.32079764875812,
"volume_molar": 6.005098042651243,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.1273340756704977,
"spacegroup": 2
},
{
"id": "jvasp-62724",
"created_at": "2022-09-04T14:35:53.517281Z",
"updated_at": "2022-09-04T14:35:53.517313Z",
"structure_string": "B2 S4 N4 O2 F14\n1.0\n0.000000 5.764193 -0.006583\n7.688898 0.000000 0.000000\n0.000000 -2.710954 -7.694776\nB S N O F\n2 4 4 2 14\ndirect\n0.632487 0.750000 0.167534 B\n0.367513 0.250000 0.832467 B\n0.195910 0.750000 0.860040 S\n0.804090 0.250000 0.139960 S\n0.319643 0.750000 0.560921 S\n0.680358 0.250000 0.439079 S\n0.865216 0.250000 0.343704 N\n0.134785 0.750000 0.656296 N\n0.439258 0.750000 0.977355 N\n0.560742 0.250000 0.022645 N\n0.575949 0.750000 0.638230 O\n0.424052 0.250000 0.361770 O\n0.234588 0.600760 0.428536 F\n0.593962 0.599507 0.253610 F\n0.406038 0.099507 0.746390 F\n0.406038 0.400493 0.746390 F\n0.593962 0.900493 0.253610 F\n0.765412 0.100760 0.571464 F\n0.019649 0.899267 0.874261 F\n0.234588 0.899240 0.428536 F\n0.019649 0.600734 0.874261 F\n0.980351 0.100733 0.125739 F\n0.980351 0.399267 0.125739 F\n0.865494 0.750000 0.152212 F\n0.765412 0.399240 0.571464 F\n0.134506 0.250000 0.847789 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"B",
"S",
"N",
"O",
"F"
],
"chemical_system": "B-F-N-O-S",
"density": 2.452491084587932,
"density_atomic": 0.07620790918574954,
"volume": 341.1719371099326,
"volume_molar": 7.902251648607238,
"formula_full": "B2 S4 N4 O2 F14",
"formula_reduced": "BS2N2OF7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.7791134277564102,
"spacegroup": 11
},
{
"id": "jvasp-88328",
"created_at": "2022-09-04T14:35:57.024266Z",
"updated_at": "2022-09-04T14:35:57.024287Z",
"structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7921234926777323,
"density_atomic": 0.0998192182248609,
"volume": 400.72443675017314,
"volume_molar": 6.033047410203149,
"formula_full": "H16 C4 S4 N8 O8",
"formula_reduced": "H4CS(NO)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 3.94656235,
"spacegroup": 62
},
{
"id": "jvasp-101855",
"created_at": "2022-09-04T14:37:13.095276Z",
"updated_at": "2022-09-04T14:37:13.095307Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9120889657253952,
"density_atomic": 0.07818060853299391,
"volume": 179.07253809736844,
"volume_molar": 7.702857361948681,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.297761464285714,
"spacegroup": 1
},
{
"id": "jvasp-85686",
"created_at": "2022-09-04T14:36:02.609312Z",
"updated_at": "2022-09-04T14:36:02.609326Z",
"structure_string": "Na2 Zn1 H4 Se2 O10\n1.0\n5.718319 -0.007489 -1.803163\n-2.683877 6.545901 -1.110686\n-0.083518 0.000340 5.584505\nNa Zn H Se O\n2 1 4 2 10\ndirect\n0.723696 0.247627 0.346428 Na\n0.276303 0.752372 0.653573 Na\n0.000000 0.000000 0.000000 Zn\n0.871276 0.607841 0.853496 H\n0.128723 0.392159 0.146505 H\n0.154422 0.701474 0.078377 H\n0.845577 0.298526 0.921624 H\n0.661036 0.758760 0.324090 Se\n0.338963 0.241240 0.675911 Se\n0.641580 0.371568 0.716348 O\n0.358419 0.628432 0.283653 O\n0.175180 0.389574 0.655124 O\n0.824819 0.610425 0.344877 O\n0.652523 0.862777 0.070823 O\n0.773256 0.954916 0.594958 O\n0.347476 0.137223 0.929177 O\n0.037084 0.727898 0.925720 O\n0.226743 0.045083 0.405042 O\n0.962915 0.272102 0.074280 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Na",
"Zn",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-O-Se-Zn",
"density": 3.460433143321408,
"density_atomic": 0.09137174130133432,
"volume": 207.94175233390828,
"volume_molar": 6.590813170715023,
"formula_full": "Na2 Zn1 H4 Se2 O10",
"formula_reduced": "Na2ZnH4(SeO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.2064184280701755,
"spacegroup": 2
},
{
"id": "jvasp-62179",
"created_at": "2022-09-04T14:36:19.680937Z",
"updated_at": "2022-09-04T14:36:19.680966Z",
"structure_string": "K4 Al4 H24 O8 F24\n1.0\n8.654457 -0.000000 -0.000000\n-0.000000 8.654457 0.000000\n0.000000 -0.000000 8.654457\nK Al H O F\n4 4 24 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.300576 0.297689 0.637880 H\n0.199424 0.702311 0.137880 H\n0.862120 0.699424 0.797689 H\n0.362120 0.800576 0.202311 H\n0.202311 0.362120 0.800576 H\n0.137880 0.199424 0.702311 H\n0.797689 0.862120 0.699424 H\n0.800576 0.202311 0.362120 H\n0.297689 0.637880 0.300576 H\n0.637880 0.300576 0.297689 H\n0.699424 0.797689 0.862120 H\n0.702311 0.137880 0.199424 H\n0.702311 0.362120 0.699424 H\n0.797689 0.637880 0.199424 H\n0.202311 0.137880 0.300576 H\n0.862120 0.800576 0.297689 H\n0.362120 0.699424 0.702311 H\n0.637880 0.199424 0.797689 H\n0.137880 0.300576 0.202311 H\n0.800576 0.297689 0.862120 H\n0.699424 0.702311 0.362120 H\n0.199424 0.797689 0.637880 H\n0.300576 0.202311 0.137880 H\n0.297689 0.862120 0.800576 H\n0.303733 0.696267 0.196267 O\n0.196267 0.303733 0.696267 O\n0.696267 0.196267 0.303733 O\n0.803733 0.803733 0.803733 O\n0.696267 0.303733 0.803733 O\n0.803733 0.696267 0.303733 O\n0.303733 0.803733 0.696267 O\n0.196267 0.196267 0.196267 O\n0.802201 0.951885 0.559291 F\n0.197799 0.451885 0.940710 F\n0.048115 0.059291 0.697799 F\n0.548115 0.440710 0.302201 F\n0.451885 0.940710 0.197799 F\n0.951885 0.559291 0.802201 F\n0.059291 0.697799 0.048115 F\n0.440710 0.302201 0.548115 F\n0.940710 0.197799 0.451885 F\n0.559291 0.802201 0.951885 F\n0.302201 0.951885 0.940710 F\n0.059291 0.802201 0.548115 F\n0.802201 0.548115 0.059291 F\n0.197799 0.048115 0.440710 F\n0.951885 0.940710 0.302201 F\n0.451885 0.559291 0.697799 F\n0.548115 0.059291 0.802201 F\n0.048115 0.440710 0.197799 F\n0.940710 0.302201 0.951885 F\n0.559291 0.697799 0.451885 F\n0.440710 0.197799 0.048115 F\n0.302201 0.548115 0.440710 F\n0.697799 0.451885 0.559291 F\n0.697799 0.048115 0.059291 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"K",
"Al",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-K-O",
"density": 2.2350051564128695,
"density_atomic": 0.09873258336773105,
"volume": 648.2155922288694,
"volume_molar": 6.099446155045334,
"formula_full": "K4 Al4 H24 O8 F24",
"formula_reduced": "KAlH6(OF3)2",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 1.4352562184375,
"spacegroup": 205
}
]
}