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=-volume&page=1011",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1009",
"results": [
{
"id": "jvasp-10578",
"created_at": "2022-09-04T14:37:11.007312Z",
"updated_at": "2022-09-04T14:37:11.007331Z",
"structure_string": "Dy2 P10\n1.0\n0.000000 4.947583 0.015918\n9.458841 0.000000 0.000000\n0.000000 -1.149442 -5.249344\nDy P\n2 10\ndirect\n0.992969 0.250000 0.651135 Dy\n0.007031 0.750000 0.348864 Dy\n0.725065 0.250000 0.105139 P\n0.274934 0.750000 0.894860 P\n0.381781 0.407637 0.042171 P\n0.618218 0.907637 0.957828 P\n0.618218 0.592363 0.957828 P\n0.381781 0.092363 0.042171 P\n0.284048 0.470243 0.403803 P\n0.715951 0.970243 0.596196 P\n0.715951 0.529757 0.596196 P\n0.284048 0.029757 0.403803 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"P"
],
"chemical_system": "Dy-P",
"density": 4.293518659468666,
"density_atomic": 0.04888225859108617,
"volume": 245.48783844836984,
"volume_molar": 12.319685983368526,
"formula_full": "Dy2 P10",
"formula_reduced": "DyP5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.913337333333333,
"spacegroup": 11
},
{
"id": "jvasp-107977",
"created_at": "2022-09-04T14:37:51.005741Z",
"updated_at": "2022-09-04T14:37:51.005767Z",
"structure_string": "Sr2 Tl6\n1.0\n7.173601 0.000000 0.000000\n-3.586801 6.212520 0.000000\n-0.000000 -0.000000 5.508358\nSr Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160384 0.320768 0.250000 Tl\n0.679232 0.839616 0.250000 Tl\n0.160384 0.839616 0.250000 Tl\n0.839616 0.679232 0.750000 Tl\n0.320768 0.160384 0.750000 Tl\n0.839616 0.160384 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Tl"
],
"chemical_system": "Sr-Tl",
"density": 9.480415183179675,
"density_atomic": 0.032588382986243614,
"volume": 245.48625206034322,
"volume_molar": 18.479409556902834,
"formula_full": "Sr2 Tl6",
"formula_reduced": "SrTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-59875",
"created_at": "2022-09-04T14:38:36.629106Z",
"updated_at": "2022-09-04T14:38:36.629137Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.222700 -0.000000 -3.266997\n-1.715214 5.981642 -3.266997\n-0.287595 -0.381654 7.011948\nLi Cr S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Li\n0.624999 0.375000 0.250000 Li\n0.000000 0.500001 0.000001 Cr\n0.000001 0.000000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.760022 0.780071 0.520045 S\n0.760026 0.239980 0.979957 S\n0.219930 0.239980 0.979956 S\n0.239978 0.219930 0.479956 S\n0.239978 0.760025 0.479955 S\n0.239974 0.760021 0.020045 S\n0.760021 0.239974 0.520044 S\n0.780070 0.760021 0.020044 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 3.2360139588788495,
"density_atomic": 0.057030936071340986,
"volume": 245.4808033044935,
"volume_molar": 10.559428224125234,
"formula_full": "Li2 Cr4 S8",
"formula_reduced": "Li(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7819306857142863,
"spacegroup": 227
},
{
"id": "jvasp-55704",
"created_at": "2022-09-04T14:38:04.429729Z",
"updated_at": "2022-09-04T14:38:04.429748Z",
"structure_string": "H4 I4 O12\n1.0\n5.474251 0.000000 0.000000\n0.000000 5.841509 0.000000\n0.000000 0.000000 7.676393\nH I O\n4 4 12\ndirect\n0.260055 0.674245 0.633325 H\n0.760055 0.825755 0.366675 H\n0.739945 0.174245 0.866674 H\n0.239945 0.325755 0.133325 H\n0.290405 0.092780 0.661276 I\n0.790405 0.407220 0.338724 I\n0.709594 0.592780 0.838723 I\n0.209594 0.907220 0.161276 I\n0.596374 0.663024 0.054643 O\n0.096374 0.836976 0.945357 O\n0.159543 0.802856 0.580911 O\n0.659543 0.697145 0.419088 O\n0.840457 0.302856 0.919088 O\n0.424861 0.477100 0.742534 O\n0.575139 0.977100 0.757465 O\n0.075139 0.522900 0.242534 O\n0.903626 0.336976 0.554642 O\n0.924861 0.022900 0.257465 O\n0.340457 0.197144 0.080912 O\n0.403626 0.163024 0.445357 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"I",
"O"
],
"chemical_system": "H-I-O",
"density": 4.759859857146428,
"density_atomic": 0.0814747503505193,
"volume": 245.4748239663986,
"volume_molar": 7.391419714809369,
"formula_full": "H4 I4 O12",
"formula_reduced": "HIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.914321355,
"spacegroup": 19
},
{
"id": "jvasp-57251",
"created_at": "2022-09-04T14:37:19.030404Z",
"updated_at": "2022-09-04T14:37:19.030425Z",
"structure_string": "Xe4 O12\n1.0\n5.277570 0.000000 0.000000\n0.000000 5.997962 0.000000\n0.000000 0.000000 7.754586\nXe O\n4 12\ndirect\n0.769868 0.443090 0.336033 Xe\n0.230132 0.943089 0.163967 Xe\n0.730132 0.556910 0.836033 Xe\n0.269868 0.056910 0.663968 Xe\n0.418427 0.191252 0.085496 O\n0.612369 0.646880 0.067624 O\n0.918427 0.308748 0.914505 O\n0.591253 0.951163 0.746711 O\n0.091253 0.548837 0.253289 O\n0.387631 0.146880 0.432376 O\n0.581573 0.691252 0.414504 O\n0.408747 0.451163 0.753290 O\n0.887631 0.353120 0.567625 O\n0.908748 0.048837 0.246711 O\n0.081573 0.808748 0.585496 O\n0.112369 0.853119 0.932376 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Xe",
"O"
],
"chemical_system": "O-Xe",
"density": 4.851451942230257,
"density_atomic": 0.06518139539828496,
"volume": 245.46881671117137,
"volume_molar": 9.239048540158215,
"formula_full": "Xe4 O12",
"formula_reduced": "XeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7186313375000002,
"spacegroup": 19
},
{
"id": "jvasp-59712",
"created_at": "2022-09-04T14:37:28.288133Z",
"updated_at": "2022-09-04T14:37:28.288162Z",
"structure_string": "Cd6 P4\n1.0\n6.261223 0.000000 -0.000000\n0.000000 6.261223 -0.000000\n0.000000 0.000000 6.261223\nCd P\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 5.40095950810827,
"density_atomic": 0.04074013692126978,
"volume": 245.45818339601993,
"volume_molar": 14.78183731104727,
"formula_full": "Cd6 P4",
"formula_reduced": "Cd3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5886071,
"spacegroup": 224
},
{
"id": "jvasp-95531",
"created_at": "2022-09-04T14:36:17.919131Z",
"updated_at": "2022-09-04T14:36:17.919153Z",
"structure_string": "Mg4 Al8 O16\n1.0\n2.808374 0.000000 0.000000\n-0.000000 8.731150 0.000000\n0.000000 0.000000 10.010210\nMg Al O\n4 8 16\ndirect\n0.250000 0.254523 0.151916 Mg\n0.749999 0.745477 0.848084 Mg\n0.250000 0.754523 0.348084 Mg\n0.749999 0.245477 0.651916 Mg\n0.250000 0.912902 0.603475 Al\n0.250000 0.412902 0.896525 Al\n0.749999 0.587098 0.103475 Al\n0.749999 0.558787 0.616814 Al\n0.250000 0.441213 0.383186 Al\n0.749999 0.058787 0.883186 Al\n0.250000 0.941213 0.116814 Al\n0.749999 0.087098 0.396525 Al\n0.250000 0.700826 0.668817 O\n0.749999 0.299174 0.331183 O\n0.250000 0.911523 0.929585 O\n0.749999 0.879886 0.470541 O\n0.250000 0.120114 0.529459 O\n0.749999 0.379886 0.029459 O\n0.250000 0.620114 0.970541 O\n0.749999 0.463279 0.783620 O\n0.250000 0.536721 0.216380 O\n0.749999 0.963279 0.716380 O\n0.250000 0.036721 0.283620 O\n0.749999 0.588477 0.429585 O\n0.250000 0.411523 0.570415 O\n0.749999 0.088477 0.070415 O\n0.749999 0.799174 0.168817 O\n0.250000 0.200826 0.831183 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.8498130714835876,
"density_atomic": 0.11407446740725057,
"volume": 245.45369911777755,
"volume_molar": 5.279131164821229,
"formula_full": "Mg4 Al8 O16",
"formula_reduced": "MgAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5289655214285711,
"spacegroup": 62
},
{
"id": "jvasp-112777",
"created_at": "2022-09-04T14:38:43.261770Z",
"updated_at": "2022-09-04T14:38:43.261790Z",
"structure_string": "Cr2 P4 O14\n1.0\n4.753131 -0.034470 -0.000466\n-1.981992 6.649283 0.000125\n0.000762 0.000079 7.782821\nCr P O\n2 4 14\ndirect\n0.218290 0.727989 0.505432 Cr\n0.781710 0.272011 0.005431 Cr\n0.604492 0.492655 0.687060 P\n0.395507 0.507345 0.187060 P\n0.220339 0.101024 0.772009 P\n0.779662 0.898976 0.272009 P\n0.405841 0.631291 0.687797 O\n0.594158 0.368708 0.187797 O\n0.590565 0.732236 0.139264 O\n0.409436 0.267763 0.639263 O\n0.589774 0.903900 0.431330 O\n0.410226 0.096100 0.931329 O\n0.865973 0.092827 0.169768 O\n0.945650 0.161710 0.818979 O\n0.156785 0.455967 0.050073 O\n0.134031 0.907173 0.669769 O\n0.724988 0.484276 0.867888 O\n0.275010 0.515724 0.367888 O\n0.054349 0.838289 0.318982 O\n0.843215 0.544032 0.550072 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.0571678131056155,
"density_atomic": 0.08148509267610478,
"volume": 245.44366758589857,
"volume_molar": 7.390481574264653,
"formula_full": "Cr2 P4 O14",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.0948962900000003,
"spacegroup": 4
},
{
"id": "jvasp-106804",
"created_at": "2022-09-04T14:36:58.011502Z",
"updated_at": "2022-09-04T14:36:58.011512Z",
"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.197214 0.000000 0.000000\n-0.000000 7.116699 4.108176\n-0.000000 0.000685 8.217331\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.000000 0.232188 0.767812 Ho\n0.000000 0.767791 0.000011 Ho\n-0.000000 -0.000010 0.232209 Ho\n0.500000 0.611121 0.388879 Er\n0.500000 0.388861 0.000006 Er\n0.500000 0.999995 0.611139 Er\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.333331 0.333343 Bi\n0.000000 0.666657 0.666670 Bi\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ho",
"Er",
"Mn",
"Bi"
],
"chemical_system": "Bi-Er-Ho-Mn",
"density": 9.941668660516344,
"density_atomic": 0.03666848076587883,
"volume": 245.44240208541123,
"volume_molar": 16.42320770923182,
"formula_full": "Ho3 Er3 Mn1 Bi2",
"formula_reduced": "Ho3Er3MnBi2",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.839098060153257,
"spacegroup": 189
},
{
"id": "jvasp-59191",
"created_at": "2022-09-04T14:38:12.072184Z",
"updated_at": "2022-09-04T14:38:12.072209Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.233924 -0.127711 -0.931598\n1.260227 5.081545 0.931598\n-0.213377 0.279723 9.272495\nLi Fe P O\n2 2 4 14\ndirect\n0.282196 0.345402 0.518948 Li\n0.654597 0.717805 0.018948 Li\n0.722781 0.637022 0.481376 Fe\n0.362978 0.277220 0.981376 Fe\n0.806904 0.205260 0.292192 P\n0.189481 0.790932 0.704358 P\n0.794739 0.193095 0.792191 P\n0.209068 0.810519 0.204357 P\n0.075429 0.606438 0.612837 O\n0.928295 0.936806 0.748736 O\n0.998568 0.302596 0.885881 O\n0.606235 0.095841 0.885586 O\n0.063192 0.071704 0.248736 O\n0.904158 0.393764 0.385587 O\n0.393561 0.924569 0.112838 O\n0.607826 0.362507 0.143881 O\n0.014638 0.692089 0.116991 O\n0.637495 0.392174 0.643880 O\n0.370472 0.627924 0.859214 O\n0.307910 0.985361 0.616991 O\n0.697401 0.001432 0.385882 O\n0.372073 0.629526 0.359214 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.2033369562476026,
"density_atomic": 0.08963841194760272,
"volume": 245.43049706034384,
"volume_molar": 6.718259091337076,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.772115545454545,
"spacegroup": 9
},
{
"id": "jvasp-56706",
"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tb",
"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
"volume_molar": 10.556647140031414,
"formula_full": "Tb2 Mo2 Cl2 O8",
"formula_reduced": "TbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4124674810714293,
"spacegroup": 12
},
{
"id": "jvasp-63995",
"created_at": "2022-09-04T14:36:14.071746Z",
"updated_at": "2022-09-04T14:36:14.071776Z",
"structure_string": "Ba4 Hf1 Ga1\n1.0\n0.000000 4.969229 4.969229\n4.969229 0.000000 4.969229\n4.969229 4.969229 -0.000000\nBa Hf Ga\n4 1 1\ndirect\n0.125475 0.624841 0.624841 Ba\n0.624841 0.624841 0.624841 Ba\n0.624841 0.125475 0.624841 Ba\n0.624841 0.624841 0.125475 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ga"
],
"chemical_system": "Ba-Ga-Hf",
"density": 5.396276521833385,
"density_atomic": 0.02444861274293279,
"volume": 245.41269736191404,
"volume_molar": 24.63183013007879,
"formula_full": "Ba4 Hf1 Ga1",
"formula_reduced": "Ba4HfGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8863665341666664,
"spacegroup": 216
}
]
}