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=230",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=228",
"results": [
{
"id": "jvasp-106441",
"created_at": "2022-09-04T14:36:56.418072Z",
"updated_at": "2022-09-04T14:36:56.418097Z",
"structure_string": "Rb2 Sb1 Au1 F6\n1.0\n5.666889 -0.000000 3.271780\n1.888963 5.342794 3.271780\n-0.000000 -0.000000 6.543559\nRb Sb Au F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.764730 0.235270 0.235270 F\n0.235270 0.235270 0.764730 F\n0.235270 0.764730 0.764731 F\n0.235270 0.764730 0.235270 F\n0.764730 0.235270 0.764730 F\n0.764730 0.764730 0.235270 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Sb",
"density": 5.059516380932318,
"density_atomic": 0.05047459487398861,
"volume": 198.11947029917349,
"volume_molar": 11.93103337438262,
"formula_full": "Rb2 Sb1 Au1 F6",
"formula_reduced": "Rb2SbAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103886",
"created_at": "2022-09-04T14:36:56.410173Z",
"updated_at": "2022-09-04T14:36:56.410193Z",
"structure_string": "Ti1 H6 C4 O4\n1.0\n4.932412 0.094216 -1.962445\n-1.130246 4.716674 -2.607193\n0.127970 0.210108 6.133743\nTi H C O\n1 6 4 4\ndirect\n0.522916 0.007834 0.251904 Ti\n0.873149 0.175562 0.728960 H\n-0.011366 0.874432 0.540331 H\n0.043751 0.187881 0.524713 H\n0.057335 0.585720 0.963244 H\n0.002120 0.914733 0.978942 H\n0.172805 0.698670 0.774700 H\n0.905878 0.056930 0.544820 C\n0.140047 0.763866 0.958812 C\n0.464551 0.548865 0.358202 C\n0.581284 0.442715 0.145589 C\n0.419538 0.370620 0.430948 O\n0.421443 0.790669 0.440573 O\n0.626311 0.191843 0.072866 O\n0.624380 0.602253 0.063202 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.8661130916858046,
"density_atomic": 0.10157566515690918,
"volume": 147.67316538689386,
"volume_molar": 5.928723922897564,
"formula_full": "Ti1 H6 C4 O4",
"formula_reduced": "TiH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.346486822222222,
"spacegroup": 5
},
{
"id": "jvasp-100027",
"created_at": "2022-09-04T14:36:45.192451Z",
"updated_at": "2022-09-04T14:36:45.192471Z",
"structure_string": "Ca1 Eu1 H6 Ru1\n1.0\n4.398236 0.000000 2.539323\n1.466079 4.146697 2.539323\n0.000000 0.000000 5.078646\nCa Eu H Ru\n1 1 6 1\ndirect\n0.750001 0.750001 0.749999 Ca\n0.250000 0.250000 0.250000 Eu\n0.756484 0.756484 0.243516 H\n0.243517 0.756484 0.243516 H\n0.756484 0.243517 0.243516 H\n0.243517 0.243517 0.756483 H\n0.756484 0.243517 0.756483 H\n0.243517 0.756484 0.756483 H\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ca",
"Eu",
"H",
"Ru"
],
"chemical_system": "Ca-Eu-H-Ru",
"density": 5.363191766682672,
"density_atomic": 0.09716586828924459,
"volume": 92.62511783673548,
"volume_molar": 6.197794416937864,
"formula_full": "Ca1 Eu1 H6 Ru1",
"formula_reduced": "CaEuH6Ru",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.6990967688888885,
"spacegroup": 216
},
{
"id": "jvasp-44474",
"created_at": "2022-09-04T14:36:56.333353Z",
"updated_at": "2022-09-04T14:36:56.333371Z",
"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.345840 0.038443 0.000000\n2.692600 4.679543 0.000000\n0.000000 0.000000 9.961409\nLi Ni Bi O\n4 4 2 12\ndirect\n0.500000 0.151127 0.750000 Li\n0.500000 0.348872 0.250000 Li\n0.500000 0.651127 0.750000 Li\n0.500000 0.848872 0.250000 Li\n0.328074 0.335963 0.000000 Ni\n0.328074 0.835963 0.500000 Ni\n0.671927 0.164036 0.500000 Ni\n0.671927 0.664036 0.000000 Ni\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.623747 0.344230 0.888799 O\n0.623746 0.032024 0.111201 O\n0.376254 0.655769 0.111201 O\n0.376254 0.467975 0.611201 O\n0.376254 0.155769 0.388799 O\n0.000000 0.136038 0.599969 O\n0.376254 0.967975 0.888799 O\n0.000000 0.636038 0.900031 O\n0.000000 0.363961 0.099969 O\n0.623747 0.532023 0.388799 O\n0.000000 0.863961 0.400031 O\n0.623747 0.844230 0.611201 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Li-Ni-O",
"density": 5.838089317929019,
"density_atomic": 0.08865092328630433,
"volume": 248.164364052357,
"volume_molar": 6.793094236087172,
"formula_full": "Li4 Ni4 Bi2 O12",
"formula_reduced": "Li2Ni2BiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.9552745545454544,
"spacegroup": 64
},
{
"id": "jvasp-107156",
"created_at": "2022-09-04T14:36:56.337589Z",
"updated_at": "2022-09-04T14:36:56.337610Z",
"structure_string": "Cd1 Ga1 Cu3 Se4\n1.0\n5.901110 0.000000 0.000000\n0.000000 5.901110 0.000000\n-0.000000 -0.000000 5.901110\nCd Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.241082 0.241082 0.241082 Se\n0.758918 0.758918 0.241082 Se\n0.241082 0.758918 0.758918 Se\n0.758918 0.241082 0.758918 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.564453960202115,
"density_atomic": 0.0437966990282063,
"volume": 205.49493910953763,
"volume_molar": 13.750216097614052,
"formula_full": "Cd1 Ga1 Cu3 Se4",
"formula_reduced": "CdGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2373696546296293,
"spacegroup": 215
},
{
"id": "jvasp-101903",
"created_at": "2022-09-04T14:36:42.267238Z",
"updated_at": "2022-09-04T14:36:42.267266Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.454606 -0.070306 -0.467428\n-1.372677 4.253262 0.573060\n-0.258148 0.046116 7.590546\nZn H C O\n1 4 4 4\ndirect\n0.611696 0.160263 0.268297 Zn\n0.509651 0.864682 0.689630 H\n0.105605 -0.000945 0.694459 H\n0.118470 0.321381 0.842178 H\n0.714363 0.455696 0.846970 H\n0.987041 0.665702 0.506188 C\n0.175638 0.781295 0.688940 C\n0.048379 0.539125 0.847677 C\n0.236866 0.654742 0.030429 C\n0.026075 0.871983 0.369000 O\n0.800290 0.371572 0.497171 O\n0.197714 0.448473 0.167628 O\n0.423598 0.948874 0.039443 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.733803562574972,
"density_atomic": 0.11793155185153614,
"volume": 110.2334345295963,
"volume_molar": 5.106471224580564,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957131107692308,
"spacegroup": 2
},
{
"id": "jvasp-106412",
"created_at": "2022-09-04T14:36:56.328858Z",
"updated_at": "2022-09-04T14:36:56.328877Z",
"structure_string": "K2 Na1 Bi1 Br6\n1.0\n6.928528 -0.000000 4.000188\n2.309509 6.532279 4.000188\n-0.000000 -0.000000 8.000375\nK Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.748734 0.251267 0.251267 Br\n0.251267 0.251267 0.748734 Br\n0.251267 0.748733 0.748734 Br\n0.251267 0.748733 0.251267 Br\n0.748734 0.251267 0.748734 Br\n0.748734 0.748733 0.251267 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Na",
"density": 3.6210549384364015,
"density_atomic": 0.02761747400666498,
"volume": 362.08959579672927,
"volume_molar": 21.805545136194084,
"formula_full": "K2 Na1 Bi1 Br6",
"formula_reduced": "K2NaBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103827",
"created_at": "2022-09-04T14:36:56.291467Z",
"updated_at": "2022-09-04T14:36:56.291490Z",
"structure_string": "H6 C11 S1 O2\n1.0\n6.052808 0.023308 -0.095512\n-2.859172 4.841596 -2.700618\n-0.044380 -0.045480 7.106043\nH C S O\n6 11 1 2\ndirect\n0.197729 0.289354 0.789441 H\n0.343766 0.950237 0.365846 H\n0.274096 0.452208 0.138765 H\n0.232246 0.432570 0.563168 H\n0.615502 0.890810 0.812611 H\n0.819238 0.835557 0.540911 H\n0.994855 0.850863 0.602513 C\n0.209547 0.105372 0.742854 C\n0.003556 0.609771 0.537813 C\n0.436967 0.123919 0.820001 C\n0.225422 0.620359 0.612969 C\n0.721294 0.106575 0.312263 C\n0.678185 0.396629 0.952689 C\n0.652743 0.634997 0.088656 C\n0.484637 0.904350 0.294585 C\n0.447589 0.638268 0.169199 C\n0.440305 0.878029 0.753258 C\n0.903979 0.971727 0.174026 S\n0.774405 0.371969 0.399020 O\n0.892514 0.420129 0.940887 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6149002571743214,
"density_atomic": 0.09617957793248559,
"volume": 207.94435190846065,
"volume_molar": 6.261350787198624,
"formula_full": "H6 C11 S1 O2",
"formula_reduced": "H6C11SO2",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.592238850000001,
"spacegroup": 1
},
{
"id": "jvasp-103823",
"created_at": "2022-09-04T14:36:56.287580Z",
"updated_at": "2022-09-04T14:36:56.287598Z",
"structure_string": "H6 C11 S1 O2\n1.0\n3.704150 0.016872 0.625195\n1.560690 5.697739 0.531921\n0.139290 0.187943 10.251678\nH C S O\n6 11 1 2\ndirect\n0.592024 0.134657 0.216726 H\n0.473041 0.224903 0.837617 H\n0.728010 0.183618 0.582978 H\n0.875403 0.907101 0.389654 H\n0.203868 0.886889 0.156857 H\n0.251573 0.152051 0.446642 H\n0.238915 0.313467 0.383503 C\n0.433270 0.302682 0.255862 C\n0.034494 0.531186 0.435513 C\n0.423754 0.508247 0.172678 C\n0.032150 0.736832 0.352177 C\n0.601467 0.562784 0.812742 C\n0.639161 0.468427 0.038730 C\n0.842893 0.523488 0.572099 C\n0.722524 0.333647 0.635539 C\n0.584217 0.354112 0.771801 C\n0.217163 0.726306 0.221142 C\n0.779201 0.736481 0.684786 S\n0.906305 0.299890 0.012125 O\n0.493679 0.636939 0.940565 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5589114939104245,
"density_atomic": 0.09284502176051135,
"volume": 215.4127342614977,
"volume_molar": 6.486229036096068,
"formula_full": "H6 C11 S1 O2",
"formula_reduced": "H6C11SO2",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.591468350000001,
"spacegroup": 1
},
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O",
"density": 5.746658322751521,
"density_atomic": 0.04401568277640424,
"volume": 159.03422504109224,
"volume_molar": 13.681806983642488,
"formula_full": "Ba2 Mn2 As2 O1",
"formula_reduced": "Ba2Mn2As2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.289596203251232,
"spacegroup": 12
},
{
"id": "jvasp-107031",
"created_at": "2022-09-04T14:36:56.685344Z",
"updated_at": "2022-09-04T14:36:56.685366Z",
"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n4.646997 -0.019302 -2.153144\n-1.903621 4.239243 -2.153144\n0.012548 0.019302 5.121567\nSr Ca Cu O\n1 1 2 4\ndirect\n0.500000 0.500000 0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.749999 0.500001 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.500001 O\n0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000001 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O-Sr",
"density": 5.236374710676414,
"density_atomic": 0.0791352877983841,
"volume": 101.09270115225836,
"volume_molar": 7.609930951843925,
"formula_full": "Sr1 Ca1 Cu2 O4",
"formula_reduced": "SrCa(CuO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.88759395375,
"spacegroup": 139
},
{
"id": "jvasp-104108",
"created_at": "2022-09-04T14:36:45.211648Z",
"updated_at": "2022-09-04T14:36:45.211670Z",
"structure_string": "H6 C4 N2 O2\n1.0\n3.649728 0.000000 -1.207453\n0.000000 6.906169 0.000000\n-0.169025 0.000000 4.477735\nH C N O\n6 4 2 2\ndirect\n0.293989 0.842976 0.774293 H\n0.706010 0.342976 0.225709 H\n0.865891 0.041770 0.156676 H\n0.134109 0.541770 0.843326 H\n0.355833 0.034293 0.304952 H\n0.644166 0.534293 0.695050 H\n0.109418 0.037678 0.375325 C\n0.890581 0.537678 0.624676 C\n0.137593 0.216457 0.581030 C\n0.862406 0.716457 0.418972 C\n0.095244 0.862716 0.553086 N\n0.904755 0.362716 0.446916 N\n0.373557 0.222110 0.856652 O\n0.626442 0.722110 0.143349 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6999902815298984,
"density_atomic": 0.1256115816194976,
"volume": 111.45469087722165,
"volume_molar": 4.794255977320834,
"formula_full": "H6 C4 N2 O2",
"formula_reduced": "H3C2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 4.402273821428571,
"spacegroup": 4
}
]
}