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=4066",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4064",
"results": [
{
"id": "jvasp-26193",
"created_at": "2022-09-04T14:38:35.967250Z",
"updated_at": "2022-09-04T14:38:35.967268Z",
"structure_string": "Na2 Pr4 Ru2 O12\n1.0\n0.000000 5.549948 -0.000771\n5.978335 0.000000 0.000000\n0.000000 -5.431450 -7.977821\nNa Pr Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.772306 0.072512 0.252323 Pr\n0.227694 0.572511 0.247677 Pr\n0.227694 0.927487 0.747677 Pr\n0.772306 0.427488 0.752323 Pr\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.270277 0.280934 0.436525 O\n0.729724 0.780933 0.063475 O\n0.619651 0.043528 0.732252 O\n0.380349 0.543527 0.767748 O\n0.380349 0.956471 0.267748 O\n0.158561 0.825727 0.450057 O\n0.841439 0.174272 0.549943 O\n0.158561 0.674272 0.950057 O\n0.270277 0.219066 0.936525 O\n0.841439 0.325727 0.049943 O\n0.619651 0.456472 0.232252 O\n0.729724 0.719066 0.563475 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Pr",
"Ru",
"O"
],
"chemical_system": "Na-O-Pr-Ru",
"density": 6.296179165540569,
"density_atomic": 0.07555017473410852,
"volume": 264.72473518940296,
"volume_molar": 7.971048089821551,
"formula_full": "Na2 Pr4 Ru2 O12",
"formula_reduced": "NaPr2RuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3379780200000004,
"spacegroup": 14
},
{
"id": "jvasp-112498",
"created_at": "2022-09-04T14:38:40.805663Z",
"updated_at": "2022-09-04T14:38:40.805688Z",
"structure_string": "Ba4 Cu3 Re1 O12\n1.0\n6.615160 -0.000000 -2.338812\n-3.307580 5.728897 -2.338812\n-0.000000 -0.000000 7.016437\nBa Cu Re O\n4 3 1 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500001 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500001 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Re\n0.500000 0.750000 0.250001 O\n0.500000 0.250000 0.750001 O\n0.750000 0.250000 0.500001 O\n0.765910 0.765911 0.000001 O\n0.234090 0.000000 0.234090 O\n0.765910 0.000000 0.765911 O\n0.000000 0.234090 0.234090 O\n0.000000 0.765911 0.765911 O\n0.250000 0.500000 0.750001 O\n0.250000 0.750000 0.500001 O\n0.234090 0.234090 0.000000 O\n0.750000 0.500000 0.250001 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Re",
"O"
],
"chemical_system": "Ba-Cu-O-Re",
"density": 6.982638155516828,
"density_atomic": 0.07521457374020604,
"volume": 265.905914312308,
"volume_molar": 8.006614224526087,
"formula_full": "Ba4 Cu3 Re1 O12",
"formula_reduced": "Ba4Cu3ReO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.0305582615,
"spacegroup": 229
},
{
"id": "jvasp-112219",
"created_at": "2022-09-04T14:38:43.843058Z",
"updated_at": "2022-09-04T14:38:43.843086Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.255063 -0.011613 -0.528401\n-1.894379 4.240574 -0.134204\n-0.360494 -0.406859 19.532777\nSn H C F\n2 24 12 4\ndirect\n0.932657 0.507796 0.526903 Sn\n0.808104 0.017685 0.024625 Sn\n0.490161 0.994471 0.898581 H\n0.325488 0.619861 0.930869 H\n0.834061 0.526979 0.900750 H\n0.970357 0.881021 0.861139 H\n0.353885 0.251720 0.395998 H\n0.142900 0.628893 0.403953 H\n0.857478 0.807434 0.418784 H\n0.753865 0.455692 0.274924 H\n0.472757 0.612789 0.301156 H\n0.260017 0.914000 0.250586 H\n0.979082 0.071827 0.276592 H\n0.641400 0.100682 0.371206 H\n0.267995 0.314867 0.816146 H\n0.639998 0.383781 0.778770 H\n0.978206 0.318774 0.689467 H\n0.377759 0.419073 0.661290 H\n0.934047 0.806111 0.646412 H\n0.380289 0.273647 0.155642 H\n0.358672 0.939284 0.626068 H\n0.094047 0.426668 0.180116 H\n0.589960 0.901627 0.147061 H\n0.872292 0.718084 0.133456 H\n0.248416 0.810697 0.775298 H\n0.645973 0.907900 0.745995 H\n0.520533 0.396644 0.298865 C\n0.741011 0.685693 0.873192 C\n0.892320 0.586170 0.419050 C\n0.590080 0.314685 0.373098 C\n0.560871 0.810797 0.920273 C\n0.212624 0.130362 0.252747 C\n0.143894 0.211902 0.178448 C\n0.215961 0.521176 0.682575 C\n0.407864 0.706926 0.753596 C\n0.840850 0.940775 0.132570 C\n0.127831 0.728846 0.631701 C\n0.505947 0.503873 0.804612 C\n0.998770 0.497134 0.026461 F\n0.733456 0.032136 0.529101 F\n0.392125 0.399759 0.527096 F\n0.337903 0.128643 0.022080 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.281814479197956,
"density_atomic": 0.11980488097083204,
"volume": 350.57002402285605,
"volume_molar": 5.026623883100525,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036098203095238,
"spacegroup": 1
},
{
"id": "jvasp-112078",
"created_at": "2022-09-04T14:38:43.847773Z",
"updated_at": "2022-09-04T14:38:43.847801Z",
"structure_string": "Sn1 H8 C5 O6\n1.0\n5.029785 0.000061 0.388491\n0.207405 4.919434 0.533960\n0.111582 -0.090543 7.298897\nSn H C O\n1 8 5 6\ndirect\n0.200526 0.988272 0.238901 Sn\n0.559308 0.853612 0.857912 H\n0.434314 0.585852 0.752758 H\n0.957584 0.433574 0.904803 H\n0.977931 0.712303 0.739360 H\n0.701462 0.218529 0.639156 H\n0.048728 0.191955 0.648174 H\n0.826456 0.044830 0.038945 H\n0.572899 0.913380 0.441467 H\n0.574373 0.633887 0.850887 C\n0.862177 0.533902 0.786340 C\n0.920894 0.478431 0.440952 C\n0.483806 0.494586 0.036948 C\n0.879679 0.340098 0.633941 C\n0.476832 0.233140 0.048932 O\n0.003435 0.954500 0.021555 O\n0.398616 0.010068 0.458594 O\n0.959769 0.340661 0.300601 O\n0.915874 0.739240 0.420100 O\n0.425704 0.622752 0.179657 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.6000905986444134,
"density_atomic": 0.1107271213904452,
"volume": 180.62422059610978,
"volume_molar": 5.438722405475321,
"formula_full": "Sn1 H8 C5 O6",
"formula_reduced": "SnH8C5O6",
"formula_anonymous": "AB5C6D8",
"energy_above_hull": 4.112959635,
"spacegroup": 1
},
{
"id": "jvasp-112192",
"created_at": "2022-09-04T14:38:44.727054Z",
"updated_at": "2022-09-04T14:38:44.727078Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.382146615316522,
"density_atomic": 0.11015075626009942,
"volume": 344.98174402244183,
"volume_molar": 5.467180584561667,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.3949981484210525,
"spacegroup": 2
},
{
"id": "jvasp-112091",
"created_at": "2022-09-04T14:38:44.595195Z",
"updated_at": "2022-09-04T14:38:44.595223Z",
"structure_string": "H16 C22 S2 O2\n1.0\n4.131912 -0.111345 -0.538587\n-2.685980 8.366285 -1.823679\n-0.005328 -0.314108 11.808749\nH C S O\n16 22 2 2\ndirect\n0.818043 0.889858 0.007918 H\n0.436688 0.657987 0.396482 H\n0.936946 0.658061 0.896510 H\n0.922252 0.732541 0.324525 H\n0.530955 0.491761 0.710532 H\n0.030716 0.491691 0.210509 H\n0.461098 0.080852 0.708450 H\n-0.039076 0.080825 0.208425 H\n0.422528 0.732626 0.824542 H\n-0.001890 0.469896 0.798907 H\n0.624383 0.216154 0.199832 H\n0.124646 0.216234 0.699845 H\n0.016989 0.960764 0.669999 H\n0.516851 0.960694 0.170022 H\n0.317821 0.889797 0.507884 H\n0.497852 0.469822 0.298886 H\n0.487830 0.579440 0.665214 C\n0.856703 0.827459 0.174518 C\n0.356724 0.827471 0.674509 C\n0.991924 0.552540 0.043657 C\n0.933199 0.670218 0.989836 C\n0.866286 0.802735 0.053279 C\n0.366166 0.802703 0.553257 C\n0.433064 0.670181 0.489818 C\n0.987697 0.579400 0.165206 C\n0.491912 0.552538 0.543657 C\n0.423076 0.715595 0.730273 C\n0.050445 0.413762 0.968150 C\n0.268865 0.976388 0.722720 C\n0.768770 0.976358 0.222723 C\n0.672834 0.160784 0.371235 C\n0.172883 0.160798 0.871229 C\n0.550402 0.413747 0.468150 C\n0.547336 0.388424 0.348623 C\n0.047504 0.388477 0.848635 C\n0.616306 0.248053 0.293255 C\n0.116479 0.248105 0.793264 C\n0.922924 0.715546 0.230267 C\n0.139499 0.254025 0.014299 S\n0.639572 0.254043 0.514312 S\n0.250606 0.020626 0.847482 O\n0.750613 0.020619 0.347494 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5558060356936843,
"density_atomic": 0.1045203292667836,
"volume": 401.8357031080224,
"volume_molar": 5.761693253595429,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.507300642857143,
"spacegroup": 1
},
{
"id": "jvasp-113175",
"created_at": "2022-09-04T14:38:44.935059Z",
"updated_at": "2022-09-04T14:38:44.935074Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n5.035098 0.030055 0.741480\n-1.238551 4.880482 0.741480\n0.002848 0.003684 4.388164\nLi Co P O\n1 1 2 7\ndirect\n0.690145 0.309854 0.500000 Li\n0.059535 0.940464 0.500000 Co\n0.613225 0.806953 0.091415 P\n0.193046 0.386775 0.908584 P\n0.004746 0.240342 0.224681 O\n0.063177 0.599286 0.757866 O\n0.289168 0.199133 0.691864 O\n0.400713 0.936822 0.242133 O\n0.481219 0.518781 0.000000 O\n0.759658 0.995252 0.775318 O\n0.800866 0.710832 0.308136 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.688325575804632,
"density_atomic": 0.10188070277412611,
"volume": 107.9694161944237,
"volume_molar": 5.910972928162209,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7636360363636365,
"spacegroup": 5
},
{
"id": "jvasp-16384",
"created_at": "2022-09-04T14:38:30.987765Z",
"updated_at": "2022-09-04T14:38:30.987784Z",
"structure_string": "Ce1 B2 Ir2 C1\n1.0\n3.650753 -0.000000 -1.271756\n-0.443023 3.623773 -1.271756\n-0.010120 -0.011432 5.846822\nCe B Ir C\n1 2 2 1\ndirect\n0.500000 0.500000 -0.000001 Ce\n0.145806 0.145806 0.291611 B\n0.854194 0.854193 0.708387 B\n0.750000 0.250000 0.499999 Ir\n0.250000 0.750000 0.499999 Ir\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Ir",
"C"
],
"chemical_system": "B-C-Ce-Ir",
"density": 11.999374337351677,
"density_atomic": 0.07767555818168749,
"volume": 77.24437571424544,
"volume_molar": 7.752941724491859,
"formula_full": "Ce1 B2 Ir2 C1",
"formula_reduced": "CeB2Ir2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.777788811111111,
"spacegroup": 139
},
{
"id": "jvasp-29022",
"created_at": "2022-09-04T14:38:32.793383Z",
"updated_at": "2022-09-04T14:38:32.793409Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503564 0.000000 0.000000\n-1.751782 3.034174 -0.000014\n0.000000 -0.000227 36.989371\nTe Mo W Se\n6 2 2 2\ndirect\n0.333352 0.666704 0.709654 Te\n0.666623 0.333246 0.046882 Te\n0.666690 0.333381 0.415642 Te\n0.666637 0.333273 0.146091 Te\n0.666686 0.333373 0.515344 Te\n0.333349 0.666698 0.610434 Te\n0.333296 0.666592 0.096452 Mo\n0.666684 0.333369 0.660090 Mo\n0.333356 0.666710 0.465485 W\n0.666662 0.333325 0.280895 W\n0.333336 0.666673 0.324775 Se\n0.333321 0.666644 0.237007 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.263054512858705,
"density_atomic": 0.030517837913279833,
"volume": 393.21265268199755,
"volume_molar": 19.733182858866506,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.307020427777778,
"spacegroup": 156
},
{
"id": "jvasp-112810",
"created_at": "2022-09-04T14:38:43.907134Z",
"updated_at": "2022-09-04T14:38:43.907160Z",
"structure_string": "Li3 Fe3 Ni1 O8\n1.0\n4.912428 0.009279 2.815901\n1.619879 4.637675 2.815901\n-0.029151 -0.020737 5.756884\nLi Fe Ni O\n3 3 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.499999 Fe\n0.000000 0.499999 0.500000 Fe\n0.500001 0.499999 0.500000 Fe\n0.000000 -0.000000 0.500000 Ni\n0.753675 0.272067 0.714018 O\n0.262173 0.262172 0.717602 O\n0.754200 0.754198 0.723148 O\n0.272069 0.753673 0.714018 O\n0.727933 0.246326 0.285981 O\n0.245801 0.245801 0.276851 O\n0.737828 0.737827 0.282397 O\n0.246326 0.727931 0.285981 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.730914943621047,
"density_atomic": 0.1139467831087618,
"volume": 131.64039905964307,
"volume_molar": 5.2850467522649485,
"formula_full": "Li3 Fe3 Ni1 O8",
"formula_reduced": "Li3Fe3NiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.5981797933333337,
"spacegroup": 12
},
{
"id": "jvasp-116688",
"created_at": "2022-09-04T14:38:33.027557Z",
"updated_at": "2022-09-04T14:38:33.027594Z",
"structure_string": "La6 Ga2 Cu2 Se14\n1.0\n10.698348 0.000000 0.000000\n-5.349175 9.265041 0.000000\n0.000000 -0.000000 6.204147\nLa Ga Cu Se\n6 2 2 14\ndirect\n0.139869 0.774758 0.082620 La\n0.225242 0.365111 0.082620 La\n0.634889 0.860131 0.082620 La\n0.860131 0.225242 0.582620 La\n0.774758 0.634889 0.582620 La\n0.365111 0.139869 0.582620 La\n0.333333 0.666667 0.495281 Ga\n0.666667 0.333333 0.995282 Ga\n0.000000 0.000000 0.108053 Cu\n0.000000 0.000000 0.608054 Cu\n0.572802 0.090109 0.848563 Se\n0.482692 0.572802 0.348563 Se\n0.090108 0.517308 0.348563 Se\n0.427198 0.909891 0.348563 Se\n0.666667 0.333333 0.380966 Se\n0.333333 0.666667 0.880966 Se\n0.901832 0.157013 0.096470 Se\n0.098168 0.842987 0.596471 Se\n0.744818 0.901832 0.596471 Se\n0.842987 0.744819 0.096470 Se\n0.909891 0.482692 0.848563 Se\n0.255181 0.098168 0.096470 Se\n0.157013 0.255181 0.596471 Se\n0.517308 0.427198 0.848563 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-La-Se",
"density": 5.955146541131038,
"density_atomic": 0.03902699350628375,
"volume": 614.9589769484999,
"volume_molar": 15.430706336706091,
"formula_full": "La6 Ga2 Cu2 Se14",
"formula_reduced": "La3GaCuSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3506817784722218,
"spacegroup": 173
},
{
"id": "jvasp-112227",
"created_at": "2022-09-04T14:38:43.910889Z",
"updated_at": "2022-09-04T14:38:43.910916Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.56186949836079,
"density_atomic": 0.10448730816484258,
"volume": 172.26972649733318,
"volume_molar": 5.763514120298013,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870968029444444,
"spacegroup": 2
}
]
}