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=-created_at&page=4375",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4373",
"results": [
{
"id": "jvasp-90086",
"created_at": "2022-09-04T14:35:49.632787Z",
"updated_at": "2022-09-04T14:35:49.632825Z",
"structure_string": "K6 Tc3\n1.0\n0.000000 0.000000 -2.750201\n-5.179558 -8.971257 0.000000\n-5.182146 8.972753 0.000000\nK Tc\n6 3\ndirect\n0.000000 0.654419 0.000000 K\n0.000000 0.345646 0.345639 K\n0.000000 0.000007 0.654361 K\n0.500000 0.321018 0.000000 K\n0.500000 0.678911 0.678946 K\n0.500000 0.999965 0.321054 K\n0.000000 0.999950 0.000000 Tc\n0.500000 0.333322 0.666657 Tc\n0.500000 0.666663 0.333343 Tc\n",
"nsites": 9,
"nelements": 2,
"elements": [
"K",
"Tc"
],
"chemical_system": "K-Tc",
"density": 3.4330708053622025,
"density_atomic": 0.03520119395507472,
"volume": 255.67314595880435,
"volume_molar": 17.107774150177164,
"formula_full": "K6 Tc3",
"formula_reduced": "K2Tc",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4943125000000002,
"spacegroup": 189
},
{
"id": "jvasp-14877",
"created_at": "2022-09-04T14:35:49.627605Z",
"updated_at": "2022-09-04T14:35:49.627625Z",
"structure_string": "Mg4 Ge2\n1.0\n4.922672 -0.000000 2.842106\n1.640891 4.641140 2.842106\n0.000000 0.000000 5.684213\nMg Ge\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875000 0.875001 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 3.100736976434617,
"density_atomic": 0.0462014215380101,
"volume": 129.86613399035298,
"volume_molar": 13.034535647448768,
"formula_full": "Mg4 Ge2",
"formula_reduced": "Mg2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3088411900000001,
"spacegroup": 227
},
{
"id": "jvasp-28566",
"created_at": "2022-09-04T14:35:49.626751Z",
"updated_at": "2022-09-04T14:35:49.626772Z",
"structure_string": "Te2 Mo3 S4\n1.0\n3.309643 0.000000 0.000000\n-1.654821 2.862895 0.138093\n0.000000 0.968669 19.765852\nTe Mo S\n2 3 4\ndirect\n0.588857 0.177714 0.581842 Te\n0.523510 0.047019 0.776772 Te\n0.440055 0.880110 0.024974 Mo\n0.222826 0.445653 0.679375 Mo\n0.670420 0.340839 0.336640 Mo\n0.311073 0.622145 0.414284 S\n0.799391 0.598782 0.947339 S\n0.747390 0.494780 0.102577 S\n0.363076 0.726152 0.259035 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.96593521310899,
"density_atomic": 0.04816906725616569,
"volume": 186.8418990165933,
"volume_molar": 12.502091286040336,
"formula_full": "Te2 Mo3 S4",
"formula_reduced": "Te2Mo3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.526169248148148,
"spacegroup": 160
},
{
"id": "jvasp-66491",
"created_at": "2022-09-04T14:35:49.625784Z",
"updated_at": "2022-09-04T14:35:49.625812Z",
"structure_string": "Ba4 Hg1 Ru1\n1.0\n0.000000 4.808592 4.808592\n4.808592 -0.000000 4.808592\n4.808592 4.808592 -0.000000\nBa Hg Ru\n4 1 1\ndirect\n0.123177 0.625608 0.625608 Ba\n0.625608 0.625608 0.625608 Ba\n0.625608 0.123177 0.625608 Ba\n0.625608 0.625608 0.123177 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ru"
],
"chemical_system": "Ba-Hg-Ru",
"density": 6.354458418797339,
"density_atomic": 0.026981585487202118,
"volume": 222.37388543552842,
"volume_molar": 22.319447324014437,
"formula_full": "Ba4 Hg1 Ru1",
"formula_reduced": "Ba4HgRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4897114966666666,
"spacegroup": 216
},
{
"id": "jvasp-61939",
"created_at": "2022-09-04T14:35:49.624227Z",
"updated_at": "2022-09-04T14:35:49.624256Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n4.870709 2.811864 -0.032785\n-4.870709 2.811864 -0.032785\n0.000000 0.034189 2.937611\nYb B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499998 Yb\n0.166662 0.833337 0.499998 B\n0.833337 0.166662 0.499998 B\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.500000 -0.000001 Ir\n0.500000 -0.000000 -0.000001 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"B",
"Ir"
],
"chemical_system": "B-Ir-Yb",
"density": 15.915124611002058,
"density_atomic": 0.07455581896339045,
"volume": 80.4766158218477,
"volume_molar": 8.077358472793499,
"formula_full": "Yb1 B2 Ir3",
"formula_reduced": "YbB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.965946527777777,
"spacegroup": 191
},
{
"id": "jvasp-75517",
"created_at": "2022-09-04T14:35:49.621840Z",
"updated_at": "2022-09-04T14:35:49.621866Z",
"structure_string": "Na1 Re1 As1\n1.0\n0.000000 3.132381 3.132381\n3.132381 -0.000000 3.132381\n3.132381 3.132381 0.000000\nNa Re As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Re",
"As"
],
"chemical_system": "As-Na-Re",
"density": 7.675287851530242,
"density_atomic": 0.04880535948647656,
"volume": 61.468659007240134,
"volume_molar": 12.339097229001398,
"formula_full": "Na1 Re1 As1",
"formula_reduced": "NaReAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0912795833333337,
"spacegroup": 216
},
{
"id": "jvasp-19928",
"created_at": "2022-09-04T14:35:49.614807Z",
"updated_at": "2022-09-04T14:35:49.614832Z",
"structure_string": "Tm1 Cu1\n1.0\n3.398676 0.000000 0.000000\n0.000000 3.398676 0.000000\n-0.000000 0.000000 3.398676\nTm Cu\n1 1\ndirect\n0.500001 0.500001 0.500001 Tm\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Cu"
],
"chemical_system": "Cu-Tm",
"density": 9.833447252809592,
"density_atomic": 0.05094489852097026,
"volume": 39.25810155803426,
"volume_molar": 11.82089067764288,
"formula_full": "Tm1 Cu1",
"formula_reduced": "TmCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.2435307,
"spacegroup": 221
},
{
"id": "jvasp-96131",
"created_at": "2022-09-04T14:35:49.614709Z",
"updated_at": "2022-09-04T14:35:49.614723Z",
"structure_string": "H12 N4 O16\n1.0\n5.483027 0.000000 0.000000\n0.000000 8.678202 0.000000\n0.000000 0.000000 6.128878\nH N O\n12 4 16\ndirect\n0.414082 0.327897 0.879039 H\n0.914082 0.672103 0.120961 H\n0.914082 0.827897 0.620961 H\n0.414082 0.172103 0.379039 H\n0.698462 0.252509 0.913604 H\n0.451858 0.136169 0.884929 H\n0.951858 0.863831 0.115072 H\n0.198462 0.747491 0.086396 H\n0.198462 0.752509 0.586396 H\n0.951858 0.636169 0.615072 H\n0.698462 0.247491 0.413604 H\n0.451858 0.363831 0.384928 H\n0.522143 0.905962 0.700982 N\n0.022143 0.094038 0.299018 N\n0.022143 0.405962 0.799019 N\n0.522143 0.594038 0.200982 N\n0.014991 0.760465 0.054100 O\n0.514992 0.239535 0.945900 O\n0.978473 0.222257 0.389522 O\n0.478472 0.777743 0.610478 O\n0.478472 0.722257 0.110478 O\n0.978473 0.277743 0.889522 O\n0.239412 0.044239 0.287762 O\n0.739412 0.955761 0.712239 O\n0.239412 0.455761 0.787762 O\n0.848852 0.015283 0.219345 O\n0.348852 0.984717 0.780655 O\n0.348852 0.515283 0.280655 O\n0.848852 0.484717 0.719345 O\n0.014991 0.739535 0.554101 O\n0.739412 0.544238 0.212239 O\n0.514992 0.260465 0.445900 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.845498665893885,
"density_atomic": 0.10972835348761291,
"volume": 291.6292734093785,
"volume_molar": 5.488226669399383,
"formula_full": "H12 N4 O16",
"formula_reduced": "H3NO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.19313215625,
"spacegroup": 33
},
{
"id": "jvasp-50691",
"created_at": "2022-09-04T14:35:49.610721Z",
"updated_at": "2022-09-04T14:35:49.610748Z",
"structure_string": "Li6 Ti2 P4 O16\n1.0\n4.593781 -0.005009 0.006257\n-2.291812 4.586888 -0.066746\n-0.020631 -2.050132 13.585653\nLi Ti P O\n6 2 4 16\ndirect\n0.362060 0.657786 0.335397 Li\n0.297859 0.657628 0.835394 Li\n0.702708 0.339123 0.164195 Li\n0.638637 0.339148 0.664201 Li\n0.044875 -0.001523 0.249789 Li\n0.955767 0.998374 0.749799 Li\n0.000363 0.998482 0.499800 Ti\n0.000267 0.998347 -0.000209 Ti\n0.632605 0.308391 0.881903 P\n0.678069 0.308530 0.381906 P\n0.322642 0.688418 0.617694 P\n0.367936 0.688325 0.117684 P\n0.789529 0.223448 0.963550 O\n0.436190 0.223590 0.463553 O\n0.828808 0.320227 0.789794 O\n0.023474 0.384695 0.587065 O\n0.493695 0.320335 0.289793 O\n0.363333 0.384574 0.087074 O\n0.637164 0.612116 0.912526 O\n0.206653 0.935954 0.635568 O\n0.977223 0.612268 0.412527 O\n0.171780 0.676565 0.209802 O\n0.564544 0.773381 0.536054 O\n0.210983 0.773228 0.036032 O\n0.794070 0.061005 0.364035 O\n0.731468 0.935848 0.135550 O\n0.506980 0.676554 0.709805 O\n0.269081 0.060859 0.864030 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.008430017239335,
"density_atomic": 0.09806981985527703,
"volume": 285.5108742049285,
"volume_molar": 6.140666689188329,
"formula_full": "Li6 Ti2 P4 O16",
"formula_reduced": "Li3Ti(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.566026952380952,
"spacegroup": 15
},
{
"id": "jvasp-91843",
"created_at": "2022-09-04T14:35:49.609127Z",
"updated_at": "2022-09-04T14:35:49.609160Z",
"structure_string": "La2 Ag2 Sb4\n1.0\n4.444446 0.000000 0.000000\n-0.000000 4.444446 0.000000\n-0.000000 0.000000 10.850453\nLa Ag Sb\n2 2 4\ndirect\n0.750001 0.750001 0.260087 La\n0.250000 0.250000 0.739913 La\n0.750001 0.250000 0.000000 Ag\n0.250000 0.750001 0.000000 Ag\n0.750001 0.750001 0.828195 Sb\n0.250000 0.250000 0.171805 Sb\n0.750001 0.250000 0.500000 Sb\n0.250000 0.750001 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Ag",
"Sb"
],
"chemical_system": "Ag-La-Sb",
"density": 7.597176942991957,
"density_atomic": 0.03732560442408707,
"volume": 214.33008583345048,
"volume_molar": 16.134074324899007,
"formula_full": "La2 Ag2 Sb4",
"formula_reduced": "LaAgSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.017813615,
"spacegroup": 129
},
{
"id": "jvasp-67042",
"created_at": "2022-09-04T14:35:49.608625Z",
"updated_at": "2022-09-04T14:35:49.608668Z",
"structure_string": "Y1 Be2 Ni1\n1.0\n2.942982 0.000000 0.000000\n0.000000 2.942982 -0.000000\n0.000000 -0.000000 6.381706\nY Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.739567 Y\n0.000000 0.000000 0.079384 Be\n0.500000 0.500000 0.257093 Be\n0.000000 0.000000 0.423957 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Ni"
],
"chemical_system": "Be-Ni-Y",
"density": 4.975759146300501,
"density_atomic": 0.07236823603483068,
"volume": 55.2728685838744,
"volume_molar": 8.321524870526838,
"formula_full": "Y1 Be2 Ni1",
"formula_reduced": "YBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9054300125,
"spacegroup": 99
},
{
"id": "jvasp-69084",
"created_at": "2022-09-04T14:35:49.606307Z",
"updated_at": "2022-09-04T14:35:49.606334Z",
"structure_string": "Ba1 Sc4 Co1\n1.0\n0.000000 4.232843 4.232843\n4.232843 -0.000000 4.232843\n4.232843 4.232843 0.000000\nBa Sc Co\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117110 0.627630 0.627630 Sc\n0.627630 0.627630 0.627630 Sc\n0.627630 0.117110 0.627630 Sc\n0.627630 0.627630 0.117110 Sc\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Co"
],
"chemical_system": "Ba-Co-Sc",
"density": 4.117250553856091,
"density_atomic": 0.03955712990532994,
"volume": 151.67935627178954,
"volume_molar": 15.22390723091509,
"formula_full": "Ba1 Sc4 Co1",
"formula_reduced": "BaSc4Co",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6087546449999994,
"spacegroup": 216
}
]
}