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=formula_reduced&page=405",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=403",
"results": [
{
"id": "jvasp-77367",
"created_at": "2022-09-04T14:38:07.465153Z",
"updated_at": "2022-09-04T14:38:07.465182Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-13.423680 3.880875 -1.412724\n-9.683945 1.084880 1.910897\n-8.029744 5.763670 -0.954265\nBa Na Tl\n1 1 2\ndirect\n0.500000 0.000001 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.749909 -0.000052 -0.000054 Tl\n0.250091 0.000054 0.000053 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Tl"
],
"chemical_system": "Ba-Na-Tl",
"density": 7.111806774732841,
"density_atomic": 0.030103358335246643,
"volume": 132.87554017906976,
"volume_molar": 20.004880162984843,
"formula_full": "Ba1 Na1 Tl2",
"formula_reduced": "BaNaTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0043575,
"spacegroup": 225
},
{
"id": "jvasp-81544",
"created_at": "2022-09-04T14:37:13.149574Z",
"updated_at": "2022-09-04T14:37:13.149607Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-13.443963 3.517884 -2.017196\n-9.776496 0.865507 1.495755\n-8.123296 5.541462 -1.367669\nBa Na Tl\n1 1 2\ndirect\n0.500001 -0.000001 -0.000001 Ba\n0.000000 0.000000 0.000000 Na\n0.750193 0.999711 0.999709 Tl\n0.249807 0.000290 0.000290 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Tl"
],
"chemical_system": "Ba-Na-Tl",
"density": 7.123023018280853,
"density_atomic": 0.030150835243632407,
"volume": 132.66630816951465,
"volume_molar": 19.97337954765888,
"formula_full": "Ba1 Na1 Tl2",
"formula_reduced": "BaNaTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0050349999999999,
"spacegroup": 225
},
{
"id": "jvasp-66213",
"created_at": "2022-09-04T14:35:51.339517Z",
"updated_at": "2022-09-04T14:35:51.339552Z",
"structure_string": "Ba1 Na1 V1\n1.0\n-0.000000 4.048342 4.048342\n4.048342 0.000000 4.048342\n4.048342 4.048342 0.000000\nBa Na V\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 V\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"V"
],
"chemical_system": "Ba-Na-V",
"density": 2.6436334407954596,
"density_atomic": 0.022607871528164084,
"volume": 132.69714472070962,
"volume_molar": 26.63736279860681,
"formula_full": "Ba1 Na1 V1",
"formula_reduced": "BaNaV",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4170697233333334,
"spacegroup": 216
},
{
"id": "jvasp-122491",
"created_at": "2022-09-04T14:38:54.367225Z",
"updated_at": "2022-09-04T14:38:54.367258Z",
"structure_string": "Ba4 Na4 V4 S16\n1.0\n9.428956 0.000000 0.000000\n-0.000000 6.137399 2.170412\n-0.000000 0.050970 12.188568\nBa Na V S\n4 4 4 16\ndirect\n0.882115 0.377103 0.344543 Ba\n0.617886 0.377103 0.844544 Ba\n0.117885 0.622897 0.655457 Ba\n0.382115 0.622897 0.155456 Ba\n0.121442 0.226387 0.022073 Na\n0.378558 0.226387 0.522073 Na\n0.878559 0.773613 0.977927 Na\n0.621442 0.773613 0.477927 Na\n0.117432 0.879094 0.316283 V\n0.382568 0.879094 0.816283 V\n0.882568 0.120906 0.683717 V\n0.617433 0.120906 0.183717 V\n0.330634 0.218231 0.766510 S\n0.169366 0.218231 0.266510 S\n0.064413 0.790970 0.164055 S\n0.435587 0.790970 0.664055 S\n0.935587 0.209030 0.835945 S\n0.564413 0.209030 0.335945 S\n0.432133 0.179709 0.075280 S\n0.705717 0.319408 0.591622 S\n0.567868 0.820291 0.924720 S\n0.932133 0.820291 0.424720 S\n0.294284 0.680592 0.408378 S\n0.205716 0.680592 0.908378 S\n0.830634 0.781769 0.733490 S\n0.794284 0.319408 0.091622 S\n0.067868 0.179709 0.575280 S\n0.669366 0.781769 0.233490 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Na",
"V",
"S"
],
"chemical_system": "Ba-Na-S-V",
"density": 3.201948264629337,
"density_atomic": 0.03975576407824422,
"volume": 704.3003863513368,
"volume_molar": 15.147843085464759,
"formula_full": "Ba4 Na4 V4 S16",
"formula_reduced": "BaNaVS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5801927385714287,
"spacegroup": 14
},
{
"id": "jvasp-66102",
"created_at": "2022-09-04T14:35:50.861784Z",
"updated_at": "2022-09-04T14:35:50.861810Z",
"structure_string": "Ba1 Na1 Y1\n1.0\n-0.000000 4.077554 4.077554\n4.077554 -0.000000 4.077554\n4.077554 4.077554 0.000000\nBa Na Y\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Y\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Y"
],
"chemical_system": "Ba-Na-Y",
"density": 3.0521606873092,
"density_atomic": 0.022125449135275938,
"volume": 135.59046786611526,
"volume_molar": 27.218162773466762,
"formula_full": "Ba1 Na1 Y1",
"formula_reduced": "BaNaY",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8602168066666667,
"spacegroup": 216
},
{
"id": "jvasp-66166",
"created_at": "2022-09-04T14:35:45.860741Z",
"updated_at": "2022-09-04T14:35:45.860769Z",
"structure_string": "Ba1 Na1 Zn1\n1.0\n0.000000 3.999788 3.999788\n3.999788 0.000000 3.999788\n3.999788 3.999788 -0.000000\nBa Na Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Zn"
],
"chemical_system": "Ba-Na-Zn",
"density": 2.928797359004059,
"density_atomic": 0.02344122695755052,
"volume": 127.97964907863695,
"volume_molar": 25.690382038898537,
"formula_full": "Ba1 Na1 Zn1",
"formula_reduced": "BaNaZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66298",
"created_at": "2022-09-04T14:35:56.812789Z",
"updated_at": "2022-09-04T14:35:56.812820Z",
"structure_string": "Ba1 Na1 Zr1\n1.0\n0.000000 3.838017 3.838017\n3.838017 0.000000 3.838017\n3.838017 3.838017 0.000000\nBa Na Zr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Zr"
],
"chemical_system": "Ba-Na-Zr",
"density": 3.694084321049171,
"density_atomic": 0.02653203593838709,
"volume": 113.07085543554308,
"volume_molar": 22.69762024288172,
"formula_full": "Ba1 Na1 Zr1",
"formula_reduced": "BaNaZr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.425193156666667,
"spacegroup": 216
},
{
"id": "jvasp-26732",
"created_at": "2022-09-04T14:38:02.683105Z",
"updated_at": "2022-09-04T14:38:02.683115Z",
"structure_string": "Ba2 Nb20 Si2 O38\n1.0\n3.930018 -6.806990 -0.000000\n3.930018 6.806990 -0.000000\n-0.000000 0.000000 14.628856\nBa Nb Si O\n2 20 2 38\ndirect\n0.666667 0.333333 0.592211 Ba\n0.333333 0.666667 0.092211 Ba\n0.689018 0.553030 0.001193 Nb\n0.180692 0.952397 0.673243 Nb\n0.047603 0.228295 0.673243 Nb\n0.446971 0.135988 0.001193 Nb\n0.523716 0.636398 0.338923 Nb\n0.333333 0.666667 0.832774 Nb\n0.864013 0.310982 0.001193 Nb\n0.952397 0.771705 0.173243 Nb\n0.636398 0.112682 0.838923 Nb\n0.228295 0.180692 0.173243 Nb\n0.112682 0.476284 0.338923 Nb\n0.887318 0.523716 0.838923 Nb\n0.666667 0.333333 0.332773 Nb\n0.363602 0.887318 0.338923 Nb\n0.135988 0.689018 0.501193 Nb\n0.553030 0.864013 0.501193 Nb\n0.476284 0.363602 0.838923 Nb\n0.310982 0.446971 0.501193 Nb\n0.819308 0.047603 0.173243 Nb\n0.771705 0.819308 0.673243 Nb\n0.000000 0.000000 0.890228 Si\n0.000000 0.000000 0.390228 Si\n0.000000 0.000000 0.775990 O\n0.906485 0.543875 0.082394 O\n0.257473 0.205005 0.596695 O\n0.843367 0.267416 0.261126 O\n0.424049 0.156633 0.261126 O\n0.947532 0.742527 0.596695 O\n0.205005 0.947532 0.096695 O\n0.093515 0.456126 0.582394 O\n0.496390 0.596619 0.920630 O\n0.134634 0.699819 0.252732 O\n0.267416 0.424049 0.761126 O\n0.847911 0.075470 0.919897 O\n0.575951 0.843367 0.761126 O\n0.052469 0.257473 0.096695 O\n0.075470 0.227559 0.419897 O\n0.637390 0.093515 0.082394 O\n0.732584 0.575951 0.261126 O\n0.503611 0.403382 0.420630 O\n0.362611 0.906485 0.582394 O\n0.565185 0.865366 0.252732 O\n0.000000 0.000000 0.275990 O\n0.227559 0.152089 0.919897 O\n0.699819 0.565185 0.752732 O\n0.152089 0.924530 0.419897 O\n0.300181 0.434815 0.252732 O\n0.434815 0.134634 0.752732 O\n0.772441 0.847911 0.419897 O\n0.865366 0.300181 0.752732 O\n0.899771 0.496390 0.420630 O\n0.403382 0.899771 0.920630 O\n0.100229 0.503611 0.920630 O\n0.456126 0.362611 0.082394 O\n0.794996 0.052469 0.596695 O\n0.156633 0.732584 0.761126 O\n0.742527 0.794996 0.096695 O\n0.543875 0.637390 0.582394 O\n0.924530 0.772441 0.919897 O\n0.596619 0.100229 0.420630 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Si",
"O"
],
"chemical_system": "Ba-Nb-O-Si",
"density": 5.933905844833294,
"density_atomic": 0.07921395125914009,
"volume": 782.6904101421925,
"volume_molar": 7.602373905449056,
"formula_full": "Ba2 Nb20 Si2 O38",
"formula_reduced": "BaNb10SiO19",
"formula_anonymous": "ABC10D19",
"energy_above_hull": 4.220210163548387,
"spacegroup": 173
},
{
"id": "jvasp-99106",
"created_at": "2022-09-04T14:35:49.144511Z",
"updated_at": "2022-09-04T14:35:49.144534Z",
"structure_string": "Ba2 Nb4 Bi4 O18\n1.0\n5.702360 0.000000 -0.000000\n0.000000 5.566961 -1.208993\n0.000000 -0.109532 12.917029\nBa Nb Bi O\n2 4 4 18\ndirect\n0.466937 0.248218 0.000000 Ba\n0.966937 0.751782 0.000000 Ba\n0.476359 0.834746 0.173637 Nb\n0.976359 0.338891 0.173637 Nb\n0.476359 0.661109 0.826363 Nb\n0.976359 0.165254 0.826363 Nb\n0.052184 0.518367 0.598198 Bi\n0.552184 0.079832 0.598198 Bi\n0.052184 0.920168 0.401803 Bi\n0.552184 0.481633 0.401803 Bi\n0.701826 0.920826 0.829189 O\n0.442979 0.854592 0.321948 O\n0.262564 0.738414 0.504428 O\n0.762564 0.261586 0.495572 O\n0.262564 0.233986 0.495572 O\n0.708873 0.578491 0.150070 O\n0.208873 0.571577 0.150070 O\n0.701826 0.091638 0.170812 O\n0.708873 0.428423 0.849931 O\n0.942979 0.145408 0.678052 O\n0.201826 0.908362 0.829189 O\n0.201826 0.079174 0.170812 O\n0.955494 0.230830 0.000000 O\n0.442979 0.532645 0.678052 O\n0.208873 0.421509 0.849931 O\n0.762564 0.766014 0.504428 O\n0.942979 0.467355 0.321948 O\n0.455494 0.769170 0.000000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nb-O",
"density": 7.181813568728567,
"density_atomic": 0.06841055275126648,
"volume": 409.29357933716796,
"volume_molar": 8.802941239045188,
"formula_full": "Ba2 Nb4 Bi4 O18",
"formula_reduced": "BaNb2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.850944633571429,
"spacegroup": 36
},
{
"id": "jvasp-97369",
"created_at": "2022-09-04T14:35:58.987920Z",
"updated_at": "2022-09-04T14:35:58.987932Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.949363 0.000000 -0.012194\n0.000000 6.192435 0.000000\n0.032256 0.000000 10.541054\nBa Nb O\n2 4 12\ndirect\n0.000001 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500304 0.047306 0.652112 Nb\n0.499696 0.547305 0.847888 Nb\n0.499696 0.952694 0.347888 Nb\n0.500304 0.452694 0.152112 Nb\n0.500015 0.889678 0.807411 O\n0.499985 0.389679 0.692589 O\n0.499954 0.303294 0.959413 O\n0.000056 0.405175 0.152701 O\n0.499954 0.196706 0.459414 O\n0.500015 0.610320 0.307411 O\n0.499985 0.110321 0.192589 O\n0.000057 0.094825 0.652701 O\n0.999944 0.594824 0.847299 O\n0.999944 0.905175 0.347299 O\n0.500046 0.696705 0.040587 O\n0.500046 0.803294 0.540586 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 5.399550062956883,
"density_atomic": 0.0698225738335898,
"volume": 257.79628294568363,
"volume_molar": 8.624919462798301,
"formula_full": "Ba2 Nb4 O12",
"formula_reduced": "BaNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.982165085555556,
"spacegroup": 55
},
{
"id": "jvasp-51602",
"created_at": "2022-09-04T14:37:58.624359Z",
"updated_at": "2022-09-04T14:37:58.624381Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.979497 0.000000 0.000000\n0.000000 6.227361 -0.000000\n0.000000 0.000000 10.628060\nBa Nb O\n2 4 12\ndirect\n0.000000 0.315204 0.750000 Ba\n0.000000 0.684795 0.250000 Ba\n0.500000 0.214491 0.078293 Nb\n0.500000 0.214491 0.421707 Nb\n0.500000 0.785509 0.578293 Nb\n0.500000 0.785509 0.921706 Nb\n0.500000 0.105626 0.891635 O\n0.500000 0.500000 0.000000 O\n0.500000 0.350186 0.250000 O\n0.000000 0.782170 0.913302 O\n0.000000 0.782170 0.586698 O\n0.500000 0.894374 0.108365 O\n0.000000 0.217830 0.086698 O\n0.500000 0.649814 0.750000 O\n0.500000 0.894374 0.391635 O\n0.000000 0.217830 0.413302 O\n0.500000 0.105626 0.608365 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 5.2850366296193885,
"density_atomic": 0.06834177958945485,
"volume": 263.3820791341729,
"volume_molar": 8.811799745596934,
"formula_full": "Ba2 Nb4 O12",
"formula_reduced": "BaNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.9877206411111112,
"spacegroup": 51
},
{
"id": "jvasp-26861",
"created_at": "2022-09-04T14:38:33.852634Z",
"updated_at": "2022-09-04T14:38:33.852663Z",
"structure_string": "Ba1 Nb4 O6\n1.0\n4.239722 0.000000 0.000000\n0.000000 4.239722 -0.000000\n0.000000 0.000000 8.296065\nBa Nb O\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.253225 Nb\n0.500000 0.500000 0.746774 Nb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.242413 O\n0.000000 0.500000 0.242413 O\n0.500000 0.000000 0.757587 O\n0.000000 0.500000 0.757587 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.73629186528865,
"density_atomic": 0.07376422394464857,
"volume": 149.12378130967954,
"volume_molar": 8.164040015548611,
"formula_full": "Ba1 Nb4 O6",
"formula_reduced": "BaNb4O6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 3.747958597272727,
"spacegroup": 123
}
]
}