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=density&page=3416",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3414",
"results": [
{
"id": "jvasp-71730",
"created_at": "2022-09-04T14:35:42.499499Z",
"updated_at": "2022-09-04T14:35:42.499528Z",
"structure_string": "Be1 Fe2 Te1\n1.0\n-1.839885 1.839885 3.899598\n1.839885 -1.839885 3.899598\n1.839885 1.839885 -3.899598\nBe Fe Te\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.749999 0.499999 Fe\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Te"
],
"chemical_system": "Be-Fe-Te",
"density": 7.808514941573869,
"density_atomic": 0.07575281979756666,
"volume": 52.803314921994335,
"volume_molar": 7.949724876371458,
"formula_full": "Be1 Fe2 Te1",
"formula_reduced": "BeFe2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.499423716666666,
"spacegroup": 119
},
{
"id": "jvasp-68376",
"created_at": "2022-09-04T14:36:03.526204Z",
"updated_at": "2022-09-04T14:36:03.526221Z",
"structure_string": "Be2 Ni1 Bi1\n1.0\n3.084207 0.000000 -0.000000\n0.000000 3.084207 0.000000\n0.000000 0.000000 6.386845\nBe Ni Bi\n2 1 1\ndirect\n0.000000 0.000000 0.982913 Be\n0.500000 0.500000 0.163966 Be\n0.500000 0.500000 0.845262 Ni\n0.000000 0.000000 0.507857 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Bi"
],
"chemical_system": "Be-Bi-Ni",
"density": 7.808779027162105,
"density_atomic": 0.06583950813426591,
"volume": 60.753795302401656,
"volume_molar": 9.146697675382239,
"formula_full": "Be2 Ni1 Bi1",
"formula_reduced": "Be2NiBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4910172249999998,
"spacegroup": 99
},
{
"id": "jvasp-109687",
"created_at": "2022-09-04T14:38:19.447257Z",
"updated_at": "2022-09-04T14:38:19.447279Z",
"structure_string": "Sr1 Ta1 N1 O2\n1.0\n4.039921 -0.000000 0.000000\n0.000000 4.055091 0.000000\n0.000000 0.000000 4.083183\nSr Ta N O\n1 1 1 2\ndirect\n-0.000000 0.985184 -0.000000 Sr\n0.500000 0.489495 0.500000 Ta\n0.500000 0.516443 -0.000000 N\n-0.000000 0.505202 0.500000 O\n0.500000 0.003674 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.809059724679387,
"density_atomic": 0.07474767394735964,
"volume": 66.89171362738597,
"volume_molar": 8.05662630283457,
"formula_full": "Sr1 Ta1 N1 O2",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.914187152,
"spacegroup": 25
},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"B",
"Ru"
],
"chemical_system": "Al-B-Ru",
"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
"volume_molar": 7.2115638914185185,
"formula_full": "Al6 B4 Ru8",
"formula_reduced": "Al3(BRu2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.149023951851852,
"spacegroup": 123
},
{
"id": "jvasp-122094",
"created_at": "2022-09-04T14:38:53.412129Z",
"updated_at": "2022-09-04T14:38:53.412165Z",
"structure_string": "Ti8 Cr2 Bi4\n1.0\n7.818070 0.008857 -0.818974\n-6.342202 4.571517 -0.818974\n-0.002854 -0.008857 7.860847\nTi Cr Bi\n8 2 4\ndirect\n0.079739 0.192049 0.271788 Ti\n0.920262 0.807952 0.728213 Ti\n0.807951 0.079739 0.887690 Ti\n0.420262 0.692050 0.112312 Ti\n0.192050 0.920262 0.112312 Ti\n0.579740 0.307951 0.887690 Ti\n0.692050 0.579740 0.271789 Ti\n0.307951 0.420261 0.728213 Ti\n0.250000 0.250000 0.000000 Cr\n0.750001 0.750001 0.000001 Cr\n0.139533 0.639533 0.779065 Bi\n0.860468 0.360468 0.220936 Bi\n0.360468 0.139533 0.500000 Bi\n0.639534 0.860468 0.500001 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Bi"
],
"chemical_system": "Bi-Cr-Ti",
"density": 7.8095026564955115,
"density_atomic": 0.049772766334445086,
"volume": 281.2783180651011,
"volume_molar": 12.099268743743497,
"formula_full": "Ti8 Cr2 Bi4",
"formula_reduced": "Ti4CrBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": null,
"spacegroup": 140
},
{
"id": "jvasp-55537",
"created_at": "2022-09-04T14:37:08.643035Z",
"updated_at": "2022-09-04T14:37:08.643054Z",
"structure_string": "Dy4 Sn4 O14\n1.0\n6.410530 -0.000000 3.701121\n2.136844 6.043906 3.701121\n0.000000 -0.000000 7.402243\nDy Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Dy\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.089536 0.660464 0.089536 O\n0.660464 0.089536 0.660463 O\n0.660464 0.089536 0.089536 O\n0.625000 0.625000 0.625000 O\n0.910463 0.339537 0.339536 O\n0.339536 0.910464 0.339536 O\n0.339536 0.339537 0.910463 O\n0.910463 0.910464 0.339536 O\n0.910463 0.339537 0.910463 O\n0.089536 0.660464 0.660463 O\n0.339536 0.910464 0.910463 O\n0.375000 0.375000 0.375000 O\n0.660463 0.660464 0.089536 O\n0.089536 0.089536 0.660463 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"O"
],
"chemical_system": "Dy-O-Sn",
"density": 7.809655079235706,
"density_atomic": 0.07670924437046872,
"volume": 286.79724563248976,
"volume_molar": 7.850606285359767,
"formula_full": "Dy4 Sn4 O14",
"formula_reduced": "Dy2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.0039673545454546,
"spacegroup": 227
},
{
"id": "jvasp-109032",
"created_at": "2022-09-04T14:37:47.906854Z",
"updated_at": "2022-09-04T14:37:47.906888Z",
"structure_string": "Cr3 As1\n1.0\n3.226560 -0.014162 -3.482126\n-0.506282 3.186624 -3.482126\n0.012144 0.014162 4.747183\nCr As\n3 1\ndirect\n0.750000 0.250000 0.499999 Cr\n0.250000 0.749999 0.499998 Cr\n0.500000 0.500000 -0.000001 Cr\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 7.810037930640826,
"density_atomic": 0.08147445869668095,
"volume": 49.0951405383556,
"volume_molar": 7.3914461738489905,
"formula_full": "Cr3 As1",
"formula_reduced": "Cr3As",
"formula_anonymous": "AB3",
"energy_above_hull": 4.1981634875000005,
"spacegroup": 139
},
{
"id": "jvasp-53265",
"created_at": "2022-09-04T14:35:48.397762Z",
"updated_at": "2022-09-04T14:35:48.397801Z",
"structure_string": "Al1 Fe2 Mo1\n1.0\n3.578326 -0.000001 2.065947\n1.192774 3.373680 2.065948\n-0.000001 -0.000000 4.131897\nAl Fe Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.500000 0.500000 0.500001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Mo"
],
"chemical_system": "Al-Fe-Mo",
"density": 7.8102526715339655,
"density_atomic": 0.08019118114320689,
"volume": 49.880796653396665,
"volume_molar": 7.509729466692291,
"formula_full": "Al1 Fe2 Mo1",
"formula_reduced": "AlFe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5765824250000007,
"spacegroup": 225
},
{
"id": "jvasp-90829",
"created_at": "2022-09-04T14:36:16.055689Z",
"updated_at": "2022-09-04T14:36:16.055723Z",
"structure_string": "Tb2 Sn6\n1.0\n4.431591 0.000000 0.000000\n0.000000 4.457196 0.000000\n0.000000 -2.228598 11.087169\nTb Sn\n2 6\ndirect\n0.500000 0.482332 0.964665 Tb\n0.000000 0.209637 0.419272 Tb\n0.500000 0.098213 0.196428 Sn\n0.500000 0.734592 0.469183 Sn\n0.500000 0.868597 0.737195 Sn\n0.000000 0.975472 0.950944 Sn\n0.000000 0.358985 0.717970 Sn\n0.000000 0.598172 0.196344 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 7.810717393804865,
"density_atomic": 0.03652985225632803,
"volume": 218.99896949663045,
"volume_molar": 16.485532757545688,
"formula_full": "Tb2 Sn6",
"formula_reduced": "TbSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.571758375,
"spacegroup": 38
},
{
"id": "jvasp-111338",
"created_at": "2022-09-04T14:38:52.095190Z",
"updated_at": "2022-09-04T14:38:52.095219Z",
"structure_string": "Tb2 Pr1\n1.0\n3.506578 -0.012128 8.222464\n1.670295 3.083237 8.222464\n-0.020443 -0.012128 8.938937\nTb Pr\n2 1\ndirect\n0.224165 0.224165 0.224164 Tb\n0.997921 0.997917 0.997915 Tb\n0.777921 0.777918 0.777916 Pr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Pr"
],
"chemical_system": "Pr-Tb",
"density": 7.810883198244098,
"density_atomic": 0.030760140777383354,
"volume": 97.5288124235691,
"volume_molar": 19.577741219012324,
"formula_full": "Tb2 Pr1",
"formula_reduced": "Tb2Pr",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3487988833333335,
"spacegroup": 160
},
{
"id": "jvasp-91368",
"created_at": "2022-09-04T14:36:05.163136Z",
"updated_at": "2022-09-04T14:36:05.163157Z",
"structure_string": "Ba3 Ta2 Ni1 O9\n1.0\n5.796859 -0.000000 -0.000000\n-2.898430 5.020227 -0.000000\n-0.000000 -0.000000 7.133894\nBa Ta Ni O\n3 2 1 9\ndirect\n0.666667 0.333334 0.339221 Ba\n0.333333 0.666666 0.660779 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.176618 Ta\n0.666667 0.333334 0.823381 Ta\n0.000000 0.000000 0.500000 Ni\n0.341563 0.170782 0.674427 O\n0.829218 0.170782 0.674427 O\n0.829219 0.658438 0.674427 O\n0.170781 0.829220 0.325573 O\n0.658438 0.829220 0.325573 O\n0.170781 0.341562 0.325573 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Ta",
"density": 7.811013741115744,
"density_atomic": 0.07225177403014557,
"volume": 207.607359145833,
"volume_molar": 8.334938263920531,
"formula_full": "Ba3 Ta2 Ni1 O9",
"formula_reduced": "Ba3Ta2NiO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.737684014,
"spacegroup": 164
},
{
"id": "jvasp-102988",
"created_at": "2022-09-04T14:36:40.574852Z",
"updated_at": "2022-09-04T14:36:40.574876Z",
"structure_string": "Tb2 Sm6\n1.0\n7.209178 -0.000000 0.000000\n-3.604589 6.243332 -0.000000\n-0.000000 0.000000 5.762311\nTb Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.166935 0.333869 0.250000 Sm\n0.666130 0.833064 0.250000 Sm\n0.166935 0.833064 0.250000 Sm\n0.833065 0.666130 0.750000 Sm\n0.333870 0.166935 0.750000 Sm\n0.833065 0.166935 0.750000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Sm"
],
"chemical_system": "Sm-Tb",
"density": 7.811129975322377,
"density_atomic": 0.030845450271741126,
"volume": 259.3575366714342,
"volume_molar": 19.523594912527987,
"formula_full": "Tb2 Sm6",
"formula_reduced": "TbSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5073612562499998,
"spacegroup": 194
}
]
}