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=88",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=86",
"results": [
{
"id": "jvasp-85430",
"created_at": "2022-09-04T14:35:58.392292Z",
"updated_at": "2022-09-04T14:35:58.392313Z",
"structure_string": "Ba1 Lu1 Fe1 Cu1 O5\n1.0\n3.861864 0.000000 0.000000\n0.000000 3.861864 0.000000\n0.000000 0.000000 7.640089\nBa Lu Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.993037 Ba\n0.000000 0.000000 0.521035 Lu\n0.499999 0.499999 0.285351 Fe\n0.499999 0.499999 0.720337 Cu\n0.499999 0.499999 0.042375 O\n0.499999 0.000000 0.697702 O\n0.499999 0.000000 0.341231 O\n0.000000 0.499999 0.697702 O\n0.000000 0.499999 0.341231 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Lu",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-Lu-O",
"density": 7.456875089349333,
"density_atomic": 0.07898600359204769,
"volume": 113.9442381017758,
"volume_molar": 7.624313784887211,
"formula_full": "Ba1 Lu1 Fe1 Cu1 O5",
"formula_reduced": "BaLuFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.8649816855555552,
"spacegroup": 99
},
{
"id": "jvasp-35122",
"created_at": "2022-09-04T14:37:29.435282Z",
"updated_at": "2022-09-04T14:37:29.435303Z",
"structure_string": "Ba1 Li2 Mg1 P2 O8\n1.0\n5.061324 0.000973 -0.001163\n-2.529926 -4.383609 0.000050\n-0.001561 0.000760 -7.106752\nBa Li Mg P O\n1 2 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.333327 0.666662 0.760822 Li\n0.666672 0.333339 0.239177 Li\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.248892 P\n0.666666 0.333334 0.751108 P\n0.333330 0.666660 0.466991 O\n0.666669 0.333341 0.533008 O\n0.640050 0.940787 0.179105 O\n0.059228 0.699267 0.179107 O\n0.300733 0.359955 0.179102 O\n0.359948 0.059213 0.820895 O\n0.940771 0.300734 0.820892 O\n0.699266 0.640046 0.820897 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Mg",
"P",
"O"
],
"chemical_system": "Ba-Li-Mg-O-P",
"density": 3.849161243310925,
"density_atomic": 0.08879920663994079,
"volume": 157.65906622078955,
"volume_molar": 6.781750634798257,
"formula_full": "Ba1 Li2 Mg1 P2 O8",
"formula_reduced": "BaLi2Mg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.0534752871428568,
"spacegroup": 147
},
{
"id": "jvasp-11388",
"created_at": "2022-09-04T14:38:10.339469Z",
"updated_at": "2022-09-04T14:38:10.339488Z",
"structure_string": "Ba4 Li1 Cu1 C2 O10\n1.0\n5.465344 -0.000000 -1.931802\n-0.682823 5.422521 -1.931802\n0.005554 0.006297 8.712732\nBa Li Cu C O\n4 1 1 2 10\ndirect\n0.618363 0.118363 0.236727 Ba\n0.381636 0.881637 0.763273 Ba\n0.118363 0.618363 0.236727 Ba\n0.881636 0.381637 0.763273 Ba\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.727111 0.727111 0.454222 C\n0.272888 0.272889 0.545778 C\n0.629103 0.629104 0.535084 O\n0.094019 0.370896 0.464916 O\n0.905980 0.905980 0.535084 O\n0.370895 0.094020 0.464916 O\n0.230804 0.230804 0.003620 O\n0.772815 0.772815 0.003621 O\n0.227184 0.769196 0.996380 O\n0.641829 0.641830 0.283659 O\n0.358170 0.358171 0.716341 O\n0.769195 0.227185 0.996380 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Cu-Li-O",
"density": 5.166614146705236,
"density_atomic": 0.0696748135862306,
"volume": 258.3429947426114,
"volume_molar": 8.64321043722192,
"formula_full": "Ba4 Li1 Cu1 C2 O10",
"formula_reduced": "Ba4LiCu(CO5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.349689962777778,
"spacegroup": 121
},
{
"id": "jvasp-112378",
"created_at": "2022-09-04T14:38:40.518849Z",
"updated_at": "2022-09-04T14:38:40.518883Z",
"structure_string": "Ba3 La2 Ti2 Nb2 O15\n1.0\n5.709226 0.000000 0.000000\n-2.854613 4.944335 0.000000\n-0.000000 -0.000000 11.635147\nBa La Ti Nb O\n3 2 2 2 15\ndirect\n0.666667 0.333333 0.578321 Ba\n0.333334 0.666666 0.421679 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.213703 La\n0.333334 0.666666 0.786297 La\n0.666667 0.333333 0.902827 Ti\n0.333334 0.666666 0.097173 Ti\n0.000000 0.000000 0.308252 Nb\n0.000000 0.000000 0.691749 Nb\n0.500000 -0.000000 -0.000000 O\n0.169391 0.830609 0.192880 O\n0.169390 0.338780 0.192880 O\n0.661220 0.830609 0.192880 O\n0.830610 0.169390 0.807121 O\n0.830610 0.661219 0.807121 O\n0.827583 0.172418 0.381550 O\n0.172418 0.827581 0.618450 O\n0.172418 0.344836 0.618450 O\n0.655165 0.827581 0.618450 O\n0.500000 0.500000 -0.000000 O\n0.827583 0.655164 0.381550 O\n0.344836 0.172418 0.381550 O\n0.338781 0.169390 0.807121 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O-Ti",
"density": 6.124271918146498,
"density_atomic": 0.07307254675189837,
"volume": 328.44072181426327,
"volume_molar": 8.241317742006235,
"formula_full": "Ba3 La2 Ti2 Nb2 O15",
"formula_reduced": "Ba3La2Ti2Nb2O15",
"formula_anonymous": "A2B2C2D3E15",
"energy_above_hull": 2.936079411527777,
"spacegroup": 164
},
{
"id": "jvasp-110283",
"created_at": "2022-09-04T14:37:54.231842Z",
"updated_at": "2022-09-04T14:37:54.231864Z",
"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n4.850076 -0.000000 2.800193\n1.616692 4.572695 2.800193\n-0.000000 -0.000000 5.600385\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500001 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.750000 Cu\n0.003178 0.496822 0.496822 O\n0.496822 0.003179 0.003178 O\n0.003178 0.496822 0.003178 O\n0.496822 0.003179 0.496821 O\n0.496822 0.496822 0.003178 O\n0.003179 0.003179 0.496822 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-La-O-Ti",
"density": 6.465979548976182,
"density_atomic": 0.0805121339239557,
"volume": 124.20488083752782,
"volume_molar": 7.479792754826192,
"formula_full": "Ba1 La1 Ti1 Cu1 O6",
"formula_reduced": "BaLaTiCuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.067060075333333,
"spacegroup": 216
},
{
"id": "jvasp-110284",
"created_at": "2022-09-04T14:37:54.523034Z",
"updated_at": "2022-09-04T14:37:54.523055Z",
"structure_string": "Ba1 La1 Mn1 Ru1 O6\n1.0\n4.851417 -0.000000 2.800967\n1.617139 4.573960 2.800967\n-0.000000 -0.000000 5.601934\nBa La Mn Ru O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.754267 0.245734 0.245734 O\n0.245734 0.754266 0.754266 O\n0.754267 0.245734 0.754266 O\n0.245734 0.754266 0.245734 O\n0.245734 0.245734 0.754266 O\n0.754267 0.754266 0.245734 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Mn",
"Ru",
"O"
],
"chemical_system": "Ba-La-Mn-O-Ru",
"density": 7.056330105851951,
"density_atomic": 0.0804453682703172,
"volume": 124.30796470963273,
"volume_molar": 7.486000610705208,
"formula_full": "Ba1 La1 Mn1 Ru1 O6",
"formula_reduced": "BaLaMnRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.738188971137931,
"spacegroup": 216
},
{
"id": "jvasp-109787",
"created_at": "2022-09-04T14:38:18.875120Z",
"updated_at": "2022-09-04T14:38:18.875142Z",
"structure_string": "Ba1 La1 Mn1 In1 O6\n1.0\n4.934660 -0.000000 2.849028\n1.644887 4.652442 2.849028\n-0.000000 -0.000000 5.698055\nBa La Mn In O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500001 La\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750000 0.750001 In\n0.486351 0.486351 0.013649 O\n0.013649 0.013649 0.486352 O\n0.013649 0.486351 0.486352 O\n0.486351 0.013649 0.013649 O\n0.486351 0.013649 0.486352 O\n0.013649 0.486351 0.013649 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Mn",
"In",
"O"
],
"chemical_system": "Ba-In-La-Mn-O",
"density": 6.8797309912288815,
"density_atomic": 0.07644254902266462,
"volume": 130.81719706959376,
"volume_molar": 7.877995745817532,
"formula_full": "Ba1 La1 Mn1 In1 O6",
"formula_reduced": "BaLaMnInO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.124317918137931,
"spacegroup": 216
},
{
"id": "jvasp-106146",
"created_at": "2022-09-04T14:36:13.800102Z",
"updated_at": "2022-09-04T14:36:13.800129Z",
"structure_string": "Ba1 La1 Cr1 Mo1 O6\n1.0\n4.874650 0.000000 2.814381\n1.624883 4.595865 2.814381\n-0.000000 -0.000000 5.628762\nBa La Cr Mo O\n1 1 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Mo\n0.752523 0.752522 0.247477 O\n0.247477 0.752522 0.247477 O\n0.752523 0.247477 0.247477 O\n0.247477 0.247477 0.752523 O\n0.752523 0.247477 0.752523 O\n0.247477 0.752522 0.752523 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Cr",
"Mo",
"O"
],
"chemical_system": "Ba-Cr-La-Mo-O",
"density": 6.849622094726005,
"density_atomic": 0.07930058885261143,
"volume": 126.10246840141455,
"volume_molar": 7.594068148967706,
"formula_full": "Ba1 La1 Cr1 Mo1 O6",
"formula_reduced": "BaLaCrMoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.945329527,
"spacegroup": 216
},
{
"id": "jvasp-107365",
"created_at": "2022-09-04T14:36:57.922404Z",
"updated_at": "2022-09-04T14:36:57.922423Z",
"structure_string": "Ba1 La1 Co1 Sb1 O6\n1.0\n4.968061 0.050745 -2.938277\n-1.591894 4.706387 -2.938277\n-0.036014 -0.050745 5.771811\nBa La Co Sb O\n1 1 1 1 6\ndirect\n0.750000 0.250000 0.499999 Ba\n0.250001 0.750001 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000001 Sb\n0.817358 0.325841 0.102801 O\n0.223042 0.714558 0.897199 O\n0.285444 0.182642 0.508484 O\n0.674159 0.776960 0.491516 O\n0.255320 0.255319 -0.000000 O\n0.744681 0.744680 -0.000001 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Co",
"Sb",
"O"
],
"chemical_system": "Ba-Co-La-O-Sb",
"density": 6.854425535593527,
"density_atomic": 0.07465485288337609,
"volume": 133.94976500217268,
"volume_molar": 8.066643396120057,
"formula_full": "Ba1 La1 Co1 Sb1 O6",
"formula_reduced": "BaLaCoSbO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.283814897,
"spacegroup": 82
},
{
"id": "jvasp-122138",
"created_at": "2022-09-04T14:38:55.563725Z",
"updated_at": "2022-09-04T14:38:55.563754Z",
"structure_string": "Ba2 La1 Co1 Cu2 O7\n1.0\n3.941585 -0.000000 0.000000\n0.000000 3.944926 0.000000\n0.000000 -0.000000 11.817674\nBa La Co Cu O\n2 1 1 2 7\ndirect\n0.499999 0.500000 0.183315 Ba\n0.499999 0.500000 0.816685 Ba\n0.499999 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.353358 Cu\n0.000000 0.000000 0.646642 Cu\n0.499999 0.000000 0.365415 O\n0.499999 0.000000 0.634584 O\n0.000000 0.000000 0.150248 O\n0.000000 0.000000 0.849752 O\n-0.000000 0.500000 0.366970 O\n-0.000000 0.500000 0.633029 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"La",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-La-O",
"density": 6.43030172280424,
"density_atomic": 0.07074595106063493,
"volume": 183.75609918450263,
"volume_molar": 8.51234688305843,
"formula_full": "Ba2 La1 Co1 Cu2 O7",
"formula_reduced": "Ba2LaCoCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": null,
"spacegroup": 47
},
{
"id": "jvasp-117038",
"created_at": "2022-09-04T14:38:45.086572Z",
"updated_at": "2022-09-04T14:38:45.086598Z",
"structure_string": "Ba6 Ho2 Ru2 Ir2 O18\n1.0\n5.915939 0.000000 0.000000\n-2.957970 5.123353 0.000000\n-0.000000 -0.000000 14.580156\nBa Ho Ru Ir O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.749754 Ba\n0.000000 0.000000 0.249754 Ba\n0.666667 0.333333 0.408169 Ba\n0.333333 0.666666 0.594048 Ba\n0.333333 0.666666 0.908169 Ba\n0.666667 0.333333 0.094047 Ba\n0.000000 0.000000 0.500232 Ho\n0.000000 0.000000 0.000232 Ho\n0.666667 0.333333 0.836945 Ru\n0.333333 0.666666 0.336945 Ru\n0.333333 0.666666 0.164376 Ir\n0.666667 0.333333 0.664376 Ir\n0.491145 0.982289 0.251271 O\n0.982290 0.491145 0.751271 O\n0.508855 0.491145 0.751271 O\n0.508855 0.017710 0.751271 O\n0.350663 0.175331 0.585597 O\n0.824669 0.175331 0.585597 O\n0.824668 0.649337 0.585597 O\n0.647533 0.823766 0.411967 O\n0.352467 0.176233 0.911967 O\n0.176233 0.352467 0.411967 O\n0.649337 0.824668 0.085597 O\n0.175331 0.824668 0.085597 O\n0.175331 0.350663 0.085597 O\n0.491145 0.508855 0.251271 O\n0.823767 0.176233 0.911967 O\n0.823766 0.647533 0.911967 O\n0.176233 0.823766 0.411967 O\n0.017710 0.508855 0.251271 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Ho",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Ho-Ir-O-Ru",
"density": 7.621834770040842,
"density_atomic": 0.0678861402185348,
"volume": 441.9164192193853,
"volume_molar": 8.87094293564769,
"formula_full": "Ba6 Ho2 Ru2 Ir2 O18",
"formula_reduced": "Ba3HoIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.444714438444444,
"spacegroup": 186
},
{
"id": "jvasp-57809",
"created_at": "2022-09-04T14:37:51.714307Z",
"updated_at": "2022-09-04T14:37:51.714324Z",
"structure_string": "Ba3 Ho2 Cu2 Pt1 O10\n1.0\n5.846553 0.000000 0.000000\n-2.923277 6.043768 -1.709745\n0.000000 -0.014141 7.445705\nBa Ho Cu Pt O\n3 2 2 1 10\ndirect\n0.846874 0.693749 0.458920 Ba\n0.000000 0.000000 0.000000 Ba\n0.153126 0.306251 0.541080 Ba\n0.311264 0.622528 0.125916 Ho\n0.688735 0.377473 0.874084 Ho\n0.589204 0.178407 0.198640 Cu\n0.410796 0.821594 0.801360 Cu\n0.500000 0.000000 0.500000 Pt\n0.667192 0.334383 0.551057 O\n0.298358 0.038027 0.719677 O\n0.455320 0.368657 0.126376 O\n0.913336 0.368657 0.126376 O\n0.701641 0.961973 0.280324 O\n0.332808 0.665617 0.448943 O\n0.544679 0.631343 0.873625 O\n0.739670 0.038027 0.719677 O\n0.086663 0.631343 0.873625 O\n0.260330 0.961973 0.280324 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Ho",
"Cu",
"Pt",
"O"
],
"chemical_system": "Ba-Cu-Ho-O-Pt",
"density": 7.729555911182475,
"density_atomic": 0.0684529868571599,
"volume": 262.9541942057313,
"volume_molar": 8.797484282996058,
"formula_full": "Ba3 Ho2 Cu2 Pt1 O10",
"formula_reduced": "Ba3Ho2Cu2PtO10",
"formula_anonymous": "AB2C2D3E10",
"energy_above_hull": 1.8198853524074077,
"spacegroup": 12
}
]
}