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=1230",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1228",
"results": [
{
"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-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-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-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-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-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-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-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-115470",
"created_at": "2022-09-04T14:38:46.442136Z",
"updated_at": "2022-09-04T14:38:46.442160Z",
"structure_string": "Bi1 B1 O2\n1.0\n2.955407 -0.000000 -0.000000\n-0.000000 2.955407 0.000000\n-0.000000 0.000000 6.130386\nBi B O\n1 1 2\ndirect\n0.000000 0.000000 0.369410 Bi\n0.500000 0.500000 0.843042 B\n0.000000 0.000000 0.739269 O\n0.500000 0.500000 0.048280 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-O",
"density": 7.808462055984016,
"density_atomic": 0.07470291955207965,
"volume": 53.54543067371513,
"volume_molar": 8.061453014298355,
"formula_full": "Bi1 B1 O2",
"formula_reduced": "BiBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.386400970833334,
"spacegroup": 99
},
{
"id": "jvasp-14559",
"created_at": "2022-09-04T14:36:15.248054Z",
"updated_at": "2022-09-04T14:36:15.248079Z",
"structure_string": "Tb1 O2\n1.0\n3.341063 -0.000000 1.928964\n1.113688 3.149985 1.928964\n-0.000000 -0.000000 3.857928\nTb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.249999 O\n0.749999 0.750001 0.749998 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.808411536745007,
"density_atomic": 0.07388801270431732,
"volume": 40.60198522330414,
"volume_molar": 8.150362338339251,
"formula_full": "Tb1 O2",
"formula_reduced": "TbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.855495133333334,
"spacegroup": 225
},
{
"id": "jvasp-92526",
"created_at": "2022-09-04T14:36:19.262618Z",
"updated_at": "2022-09-04T14:36:19.262645Z",
"structure_string": "Ba1 Sn3 Au1\n1.0\n5.109643 -0.000000 -0.000000\n-0.000000 5.109643 -0.000000\n-2.554821 -2.554821 5.623907\nBa Sn Au\n1 3 1\ndirect\n-0.000457 -0.000457 -0.000914 Ba\n0.600911 0.600911 0.201823 Sn\n0.249902 0.749901 0.499804 Sn\n0.749901 0.249902 0.499804 Sn\n0.357632 0.357632 0.715263 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Au"
],
"chemical_system": "Au-Ba-Sn",
"density": 7.8081016702154145,
"density_atomic": 0.03405263772410262,
"volume": 146.83150364181554,
"volume_molar": 17.684799658669313,
"formula_full": "Ba1 Sn3 Au1",
"formula_reduced": "BaSn3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.196739728,
"spacegroup": 107
},
{
"id": "jvasp-17459",
"created_at": "2022-09-04T14:38:13.784004Z",
"updated_at": "2022-09-04T14:38:13.784034Z",
"structure_string": "Co1 Pd1 O2\n1.0\n2.773861 -0.001773 5.516755\n1.307466 2.446393 5.516755\n-0.002960 -0.001773 6.174859\nCo Pd O\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Co\n-0.000000 -0.000000 -0.000000 Pd\n0.887527 0.887527 0.887526 O\n0.112474 0.112474 0.112474 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Pd",
"O"
],
"chemical_system": "Co-O-Pd",
"density": 7.808037182951439,
"density_atomic": 0.09530402566499907,
"volume": 41.970944795766606,
"volume_molar": 6.318873434757399,
"formula_full": "Co1 Pd1 O2",
"formula_reduced": "CoPdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1891334,
"spacegroup": 166
}
]
}