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=elements&page=1227",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1225",
"results": [
{
"id": "jvasp-119905",
"created_at": "2022-09-04T14:38:53.834719Z",
"updated_at": "2022-09-04T14:38:53.834746Z",
"structure_string": "Ba1 B1 N2\n1.0\n3.585437 0.000000 -0.000000\n0.000000 3.585437 0.000000\n0.000000 0.000000 5.414511\nBa B N\n1 1 2\ndirect\n0.500001 0.500001 0.527803 Ba\n0.000000 0.000000 0.111717 B\n0.000000 0.000000 0.353098 N\n0.500001 0.500001 0.017382 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"B",
"N"
],
"chemical_system": "B-Ba-N",
"density": 4.202345587431883,
"density_atomic": 0.05746673976687165,
"volume": 69.60547990414996,
"volume_molar": 10.47934994125356,
"formula_full": "Ba1 B1 N2",
"formula_reduced": "BaBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.763876263333333,
"spacegroup": 99
},
{
"id": "jvasp-117455",
"created_at": "2022-09-04T14:38:34.798608Z",
"updated_at": "2022-09-04T14:38:34.798629Z",
"structure_string": "Ba1 B1 N1\n1.0\n4.644982 0.000000 0.000000\n-2.322491 4.022672 -0.000000\n0.000000 -0.000000 4.253262\nBa B N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Ba\n0.000000 0.000000 0.000000 B\n0.666667 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"N"
],
"chemical_system": "B-Ba-N",
"density": 3.3879037303058457,
"density_atomic": 0.037748566223160286,
"volume": 79.47321713531407,
"volume_molar": 15.953296674630177,
"formula_full": "Ba1 B1 N1",
"formula_reduced": "BaBN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3664906011111104,
"spacegroup": 187
},
{
"id": "jvasp-117458",
"created_at": "2022-09-04T14:38:34.836711Z",
"updated_at": "2022-09-04T14:38:34.836730Z",
"structure_string": "Ba1 B1 O1\n1.0\n4.329097 0.000000 0.000000\n0.000000 4.329097 0.000000\n0.000000 0.000000 6.884492\nBa B O\n1 1 1\ndirect\n0.000000 0.000000 0.659794 Ba\n0.000000 0.000000 0.210906 B\n0.000000 0.000000 0.030556 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 2.1124678774105674,
"density_atomic": 0.023251700550528703,
"volume": 129.02282108272658,
"volume_molar": 25.899786327082506,
"formula_full": "Ba1 B1 O1",
"formula_reduced": "BaBO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6398106844444444,
"spacegroup": 99
},
{
"id": "jvasp-117461",
"created_at": "2022-09-04T14:38:34.901999Z",
"updated_at": "2022-09-04T14:38:34.902017Z",
"structure_string": "Ba1 B1 O1\n1.0\n4.789818 1.545584 0.000000\n-1.384592 4.243466 0.000000\n0.000000 0.000000 4.137844\nBa B O\n1 1 1\ndirect\n-0.059841 0.333227 0.000000 Ba\n0.404400 -0.165394 0.000000 B\n0.655442 0.832167 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 2.9320254713390757,
"density_atomic": 0.032272480445793277,
"volume": 92.95845743989135,
"volume_molar": 18.660297184516494,
"formula_full": "Ba1 B1 O1",
"formula_reduced": "BaBO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5532106844444444,
"spacegroup": 25
},
{
"id": "jvasp-50142",
"created_at": "2022-09-04T14:36:51.740459Z",
"updated_at": "2022-09-04T14:36:51.740477Z",
"structure_string": "Ba6 B4 O12\n1.0\n4.806374 2.774961 4.471811\n-4.806374 2.774961 4.471811\n-0.000000 -5.549923 4.471811\nBa B O\n6 4 12\ndirect\n0.099073 0.750000 0.400928 Ba\n0.250000 0.599072 0.900927 Ba\n0.599072 0.900927 0.250000 Ba\n0.400928 0.099073 0.750000 Ba\n0.750000 0.400928 0.099072 Ba\n0.900927 0.250000 0.599072 Ba\n0.885899 0.885899 0.885899 B\n0.614100 0.614100 0.614100 B\n0.114100 0.114100 0.114100 B\n0.385900 0.385900 0.385900 B\n0.529165 0.237941 0.392353 O\n0.892353 0.737941 0.029165 O\n0.762059 0.607647 0.470835 O\n0.607647 0.470835 0.762059 O\n0.392353 0.529165 0.237941 O\n0.029166 0.892353 0.737941 O\n0.237941 0.392353 0.529165 O\n0.470835 0.762059 0.607647 O\n0.262059 0.970834 0.107647 O\n0.737941 0.029166 0.892353 O\n0.107647 0.262059 0.970834 O\n0.970834 0.107647 0.262059 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 4.9149305965409065,
"density_atomic": 0.06147711700022989,
"volume": 357.85672903167745,
"volume_molar": 9.79574360973609,
"formula_full": "Ba6 B4 O12",
"formula_reduced": "Ba3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.224303097878788,
"spacegroup": 167
},
{
"id": "jvasp-117459",
"created_at": "2022-09-04T14:38:45.216270Z",
"updated_at": "2022-09-04T14:38:45.216288Z",
"structure_string": "Ba2 B1 O3\n1.0\n-1.909948 2.333579 5.958813\n1.909948 -2.333579 5.958813\n1.909948 2.333579 -5.958813\nBa B O\n2 1 3\ndirect\n0.642222 0.642222 0.000000 Ba\n0.357777 0.357777 0.000000 Ba\n0.000000 0.000000 0.000000 B\n0.888422 0.888422 0.000000 O\n0.111577 0.111577 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 5.2123456991383526,
"density_atomic": 0.05647905886017883,
"volume": 106.23406482133088,
"volume_molar": 10.662608197683646,
"formula_full": "Ba2 B1 O3",
"formula_reduced": "Ba2BO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.707895837222222,
"spacegroup": 71
},
{
"id": "jvasp-117460",
"created_at": "2022-09-04T14:38:51.056347Z",
"updated_at": "2022-09-04T14:38:51.056375Z",
"structure_string": "Ba1 B1 O2\n1.0\n3.646224 -0.000000 0.000000\n0.000000 3.646224 0.000000\n-0.000000 -0.000000 5.039737\nBa B O\n1 1 2\ndirect\n0.500000 0.500000 0.546200 Ba\n0.000000 0.000000 0.088023 B\n0.000000 0.000000 0.344534 O\n0.500000 0.500000 0.031243 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 4.4643370644636615,
"density_atomic": 0.05969877606702506,
"volume": 67.00304869749954,
"volume_molar": 10.08754476513692,
"formula_full": "Ba1 B1 O2",
"formula_reduced": "BaBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9014038883333335,
"spacegroup": 99
},
{
"id": "jvasp-117462",
"created_at": "2022-09-04T14:38:51.164104Z",
"updated_at": "2022-09-04T14:38:51.164125Z",
"structure_string": "Ba1 B2 P2\n1.0\n-1.979975 1.979975 5.292578\n1.979975 -1.979975 5.292578\n1.979975 1.979975 -5.292578\nBa B P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.680220 0.680220 0.000000 P\n0.319780 0.319780 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 4.419684898605862,
"density_atomic": 0.06024532233800278,
"volume": 82.99399531714344,
"volume_molar": 9.996030440692374,
"formula_full": "Ba1 B2 P2",
"formula_reduced": "Ba(BP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.110562427333334,
"spacegroup": 139
},
{
"id": "jvasp-117464",
"created_at": "2022-09-04T14:38:51.109484Z",
"updated_at": "2022-09-04T14:38:51.109510Z",
"structure_string": "Ba1 B1 P1\n1.0\n7.515934 0.000000 0.000000\n-0.000000 7.515934 -0.000000\n0.000000 0.000000 7.625147\nBa B P\n1 1 1\ndirect\n0.000000 0.000000 0.630843 Ba\n0.000000 0.000000 0.250760 B\n0.000000 0.000000 0.023242 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 0.6904926620479781,
"density_atomic": 0.006964775444569131,
"volume": 430.7389411010066,
"volume_molar": 86.46568447078704,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.468578017777778,
"spacegroup": 99
},
{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 2.2026247598360897,
"density_atomic": 0.02221716128800865,
"volume": 135.0307521789114,
"volume_molar": 27.105806551669374,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.201838017777778,
"spacegroup": 6
},
{
"id": "jvasp-15788",
"created_at": "2022-09-04T14:36:32.263482Z",
"updated_at": "2022-09-04T14:36:32.263504Z",
"structure_string": "Ba1 B2 Rh2\n1.0\n3.731442 0.000000 -1.226402\n-0.403079 3.709608 -1.226402\n0.021194 0.023621 6.354314\nBa B Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.681271 0.681272 0.362542 B\n0.318727 0.318728 0.637457 B\n0.249999 0.750000 0.500000 Rh\n0.749999 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Rh"
],
"chemical_system": "B-Ba-Rh",
"density": 6.8693676631526355,
"density_atomic": 0.056706189020168656,
"volume": 88.17379701220361,
"volume_molar": 10.619900339023152,
"formula_full": "Ba1 B2 Rh2",
"formula_reduced": "Ba(BRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9873654273333337,
"spacegroup": 139
},
{
"id": "jvasp-13081",
"created_at": "2022-09-04T14:36:57.497591Z",
"updated_at": "2022-09-04T14:36:57.497608Z",
"structure_string": "Ba2 B4 S8\n1.0\n5.996967 0.030272 0.856709\n2.078413 5.784642 2.602206\n0.014889 -0.011308 8.573934\nBa B S\n2 4 8\ndirect\n0.966211 0.105403 0.692738 Ba\n0.466210 0.798140 0.307263 Ba\n0.556333 0.547651 0.960386 B\n0.056333 0.508037 0.039614 B\n0.872397 0.131537 0.266947 B\n0.372397 0.398484 0.733053 B\n0.740632 0.722365 0.969740 S\n0.046671 0.301709 0.273511 S\n0.425751 0.285660 0.567977 S\n0.925751 0.853636 0.432023 S\n0.674087 0.217325 0.094596 S\n0.174087 0.311921 0.905405 S\n0.546672 0.575219 0.726490 S\n0.240631 0.692105 0.030261 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"B",
"S"
],
"chemical_system": "B-Ba-S",
"density": 3.2118466869380473,
"density_atomic": 0.04714175042730337,
"volume": 296.97666872996587,
"volume_molar": 12.774537868055319,
"formula_full": "Ba2 B4 S8",
"formula_reduced": "Ba(BS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.498488733809524,
"spacegroup": 9
}
]
}