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=-energy_above_hull&page=209",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=207",
"results": [
{
"id": "jvasp-43462",
"created_at": "2022-09-04T14:37:11.929311Z",
"updated_at": "2022-09-04T14:37:11.929328Z",
"structure_string": "Hf4 N4 O2\n1.0\n-3.430602 0.000109 0.008261\n-0.000073 -4.268427 -0.006816\n0.021128 1.540815 8.511460\nHf N O\n4 4 2\ndirect\n0.249569 0.709647 0.894288 Hf\n0.249318 0.875818 0.330048 Hf\n0.749409 0.122147 0.671536 Hf\n0.749364 0.288317 0.107294 Hf\n0.749707 0.667475 0.751410 N\n0.750042 0.783533 0.097581 N\n0.250203 0.214433 0.904000 N\n0.249613 0.330490 0.250176 N\n0.249435 0.186358 0.562058 O\n0.749382 0.811603 0.439526 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.687998347963454,
"density_atomic": 0.08025659128583658,
"volume": 124.6003579243063,
"volume_molar": 7.50360894166554,
"formula_full": "Hf4 N4 O2",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5720072,
"spacegroup": 11
},
{
"id": "jvasp-41234",
"created_at": "2022-09-04T14:38:09.300052Z",
"updated_at": "2022-09-04T14:38:09.300080Z",
"structure_string": "Dy4 B16 Mo4\n1.0\n3.642774 0.000000 0.000000\n0.000000 6.019979 0.000000\n0.000000 0.000000 11.631800\nDy B Mo\n4 16 4\ndirect\n0.000000 0.126775 0.149771 Dy\n0.000000 0.873225 0.850229 Dy\n0.000000 0.626775 0.350229 Dy\n0.000000 0.373225 0.649771 Dy\n0.499999 0.114122 0.547526 B\n0.499999 0.885879 0.452474 B\n0.499999 0.614122 0.952474 B\n0.499999 0.385879 0.047526 B\n0.499999 0.133469 0.968254 B\n0.499999 0.866531 0.031746 B\n0.499999 0.633469 0.531746 B\n0.499999 0.366531 0.468254 B\n0.499999 0.213283 0.813825 B\n0.499999 0.786718 0.186175 B\n0.499999 0.713283 0.686175 B\n0.499999 0.286717 0.313825 B\n0.499999 0.024168 0.693518 B\n0.499999 0.975832 0.306482 B\n0.499999 0.524169 0.806482 B\n0.499999 0.475832 0.193518 B\n0.000000 0.129422 0.416464 Mo\n0.000000 0.870578 0.583536 Mo\n0.000000 0.629422 0.083536 Mo\n0.000000 0.370578 0.916464 Mo\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 7.855742434443694,
"density_atomic": 0.0940886226598834,
"volume": 255.07866223907314,
"volume_molar": 6.40049837031748,
"formula_full": "Dy4 B16 Mo4",
"formula_reduced": "DyB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.57139878888889,
"spacegroup": 55
},
{
"id": "jvasp-39674",
"created_at": "2022-09-04T14:37:45.191015Z",
"updated_at": "2022-09-04T14:37:45.191035Z",
"structure_string": "Ti1 Si1 Os2\n1.0\n-0.000000 3.030054 3.030054\n3.030054 -0.000000 3.030054\n3.030054 3.030054 -0.000000\nTi Si Os\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Ti\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Os\n0.499999 0.499999 0.499999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Os"
],
"chemical_system": "Os-Si-Ti",
"density": 13.621518574656205,
"density_atomic": 0.07189172272878792,
"volume": 55.63922866461318,
"volume_molar": 8.376681669903185,
"formula_full": "Ti1 Si1 Os2",
"formula_reduced": "TiSiOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.570974233333333,
"spacegroup": 225
},
{
"id": "jvasp-109629",
"created_at": "2022-09-04T14:38:17.689569Z",
"updated_at": "2022-09-04T14:38:17.689596Z",
"structure_string": "Ce1 Ru3 C1\n1.0\n4.181507 0.000000 0.000000\n0.000000 4.181507 0.000000\n0.000000 0.000000 4.181507\nCe Ru C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.500000 0.000000 -0.000000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ru",
"C"
],
"chemical_system": "C-Ce-Ru",
"density": 10.341493629236497,
"density_atomic": 0.06838667992875092,
"volume": 73.11365320277693,
"volume_molar": 8.80601422129895,
"formula_full": "Ce1 Ru3 C1",
"formula_reduced": "CeRu3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.5704534,
"spacegroup": 221
},
{
"id": "jvasp-50775",
"created_at": "2022-09-04T14:35:53.424830Z",
"updated_at": "2022-09-04T14:35:53.424847Z",
"structure_string": "Hf6 N6 O3\n1.0\n-0.000000 3.262036 -0.000000\n-6.842533 1.631018 -0.036786\n-1.472739 0.000000 8.036921\nHf N O\n6 6 3\ndirect\n0.032035 0.935932 0.797774 Hf\n0.640566 0.718870 0.475428 Hf\n0.695240 0.609524 0.133100 Hf\n0.306441 0.387119 0.869340 Hf\n0.364141 0.271720 0.519617 Hf\n0.966042 0.067918 0.183572 Hf\n0.535920 0.928163 0.645707 N\n0.170181 0.659637 0.965131 N\n0.120719 0.758564 0.292733 N\n0.791640 0.416722 0.383255 N\n0.876379 0.247246 0.728079 N\n0.827155 0.345692 0.038742 N\n0.214945 0.570111 0.624191 O\n0.459785 0.080431 0.332924 O\n0.498824 0.002353 0.010399 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 11.124588191935345,
"density_atomic": 0.08353496124122452,
"volume": 179.5655349223709,
"volume_molar": 7.209126179648087,
"formula_full": "Hf6 N6 O3",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.569881199999999,
"spacegroup": 8
},
{
"id": "jvasp-50317",
"created_at": "2022-09-04T14:37:19.359987Z",
"updated_at": "2022-09-04T14:37:19.360011Z",
"structure_string": "Hf8 N8 O4\n1.0\n3.092589 -0.000000 0.000000\n-0.000000 8.417091 0.000000\n0.000000 0.000000 8.465810\nHf N O\n8 8 4\ndirect\n0.250000 0.178878 0.004810 Hf\n0.250000 0.500979 0.181923 Hf\n0.750000 0.000979 0.318077 Hf\n0.750000 0.678878 0.495190 Hf\n0.250000 0.321122 0.504810 Hf\n0.250000 0.999021 0.681923 Hf\n0.750000 0.499021 0.818077 Hf\n0.750000 0.821122 0.995190 Hf\n0.250000 0.633320 0.952420 N\n0.750000 0.055590 0.875637 N\n0.250000 0.555590 0.624363 N\n0.750000 0.133320 0.547580 N\n0.250000 0.944410 0.124363 N\n0.750000 0.444410 0.375637 N\n0.750000 0.366680 0.047580 N\n0.250000 0.866680 0.452420 N\n0.750000 0.810543 0.724874 O\n0.750000 0.689457 0.224874 O\n0.250000 0.189457 0.275126 O\n0.250000 0.310543 0.775126 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 12.086287394567721,
"density_atomic": 0.09075639759747996,
"volume": 220.37013951020177,
"volume_molar": 6.635499997156363,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.569677199999999,
"spacegroup": 62
},
{
"id": "jvasp-75751",
"created_at": "2022-09-04T14:36:13.791691Z",
"updated_at": "2022-09-04T14:36:13.791720Z",
"structure_string": "Ti1 As1 Os2\n1.0\n0.000000 3.131307 3.131307\n3.131307 0.000000 3.131307\n3.131307 3.131307 -0.000000\nTi As Os\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Os"
],
"chemical_system": "As-Os-Ti",
"density": 13.608953514371562,
"density_atomic": 0.06514079418256834,
"volume": 61.40545337518159,
"volume_molar": 9.244807091424015,
"formula_full": "Ti1 As1 Os2",
"formula_reduced": "TiAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.569667520833334,
"spacegroup": 216
},
{
"id": "jvasp-36559",
"created_at": "2022-09-04T14:37:29.285897Z",
"updated_at": "2022-09-04T14:37:29.285913Z",
"structure_string": "Cr2 N4\n1.0\n2.974337 3.251605 0.000000\n-3.700221 3.384698 0.000000\n0.362942 -3.318152 3.886177\nCr N\n2 4\ndirect\n0.000000 0.750000 -0.000000 Cr\n0.000000 0.250000 -0.000000 Cr\n0.913013 0.611036 0.222070 N\n0.086989 0.388965 0.777931 N\n0.309060 0.111036 0.222070 N\n0.690942 0.888966 0.777931 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.0940520837414067,
"density_atomic": 0.06986476795943418,
"volume": 85.88019648879104,
"volume_molar": 8.619710529199292,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.569314633333333,
"spacegroup": 72
},
{
"id": "jvasp-36677",
"created_at": "2022-09-04T14:38:03.135646Z",
"updated_at": "2022-09-04T14:38:03.135666Z",
"structure_string": "Ti1 P1 N3\n1.0\n2.839972 0.000000 0.000000\n0.000000 4.523944 -2.202246\n0.000000 0.016979 5.031468\nTi P N\n1 1 3\ndirect\n0.000000 0.578372 0.421627 Ti\n0.500000 0.925496 0.074502 P\n0.500000 0.772902 0.718678 N\n0.000000 0.813856 0.186142 N\n0.500000 0.281321 0.227097 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"P",
"N"
],
"chemical_system": "N-P-Ti",
"density": 3.0995307437256474,
"density_atomic": 0.07722024370103302,
"volume": 64.74986040393851,
"volume_molar": 7.798655470857364,
"formula_full": "Ti1 P1 N3",
"formula_reduced": "TiPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.569234716666666,
"spacegroup": 38
},
{
"id": "jvasp-58255",
"created_at": "2022-09-04T14:38:02.477828Z",
"updated_at": "2022-09-04T14:38:02.477845Z",
"structure_string": "Th4 C8\n1.0\n5.825136 0.000000 0.000000\n-0.000000 5.825136 -0.000000\n0.000000 0.000000 5.825136\nTh C\n4 8\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.433596 0.066404 0.933597 C\n0.066404 0.933597 0.433596 C\n0.933597 0.433596 0.066404 C\n0.566404 0.566404 0.566404 C\n0.433596 0.433596 0.433596 C\n0.066404 0.566404 0.933597 C\n0.933597 0.066404 0.566404 C\n0.566404 0.933597 0.066404 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"C"
],
"chemical_system": "C-Th",
"density": 8.604620206942784,
"density_atomic": 0.06071039213758052,
"volume": 197.65973464322008,
"volume_molar": 9.919456205047664,
"formula_full": "Th4 C8",
"formula_reduced": "ThC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.568871866666667,
"spacegroup": 205
},
{
"id": "jvasp-65069",
"created_at": "2022-09-04T14:37:41.268407Z",
"updated_at": "2022-09-04T14:37:41.268426Z",
"structure_string": "Be1 Nb4 Sn1\n1.0\n-0.000000 3.859079 3.859079\n3.859079 -0.000000 3.859079\n3.859079 3.859079 -0.000000\nBe Nb Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.121645 0.626118 0.626118 Nb\n0.626118 0.626118 0.626118 Nb\n0.626118 0.121645 0.626118 Nb\n0.626118 0.626118 0.121645 Nb\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Sn"
],
"chemical_system": "Be-Nb-Sn",
"density": 7.213917142710972,
"density_atomic": 0.05219996924635356,
"volume": 114.94259645409909,
"volume_molar": 11.536674919441026,
"formula_full": "Be1 Nb4 Sn1",
"formula_reduced": "BeNb4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.568192566666667,
"spacegroup": 216
},
{
"id": "jvasp-36578",
"created_at": "2022-09-04T14:37:30.137319Z",
"updated_at": "2022-09-04T14:37:30.137345Z",
"structure_string": "Cr8 N16\n1.0\n-8.170521 -8.170521 0.000000\n-8.170521 0.000000 -8.170521\n-0.000000 -8.170521 -8.170521\nCr N\n8 16\ndirect\n0.435830 0.692510 0.435830 Cr\n0.435830 0.435830 0.435830 Cr\n0.435830 0.435830 0.692510 Cr\n0.692510 0.435830 0.435830 Cr\n0.314170 0.057489 0.314170 Cr\n0.314170 0.314170 0.314170 Cr\n0.314170 0.314170 0.057489 Cr\n0.057489 0.314170 0.314170 Cr\n0.375000 0.375000 0.375000 N\n0.375000 0.875000 0.375000 N\n0.128952 0.128952 0.371048 N\n0.128952 0.371048 0.128952 N\n0.128952 0.371048 0.371048 N\n0.371048 0.128952 0.371048 N\n0.371048 0.128952 0.128952 N\n0.621048 0.378952 0.378952 N\n0.621048 0.621048 0.378952 N\n0.621048 0.378952 0.621048 N\n0.375000 0.375000 0.875000 N\n0.378952 0.621048 0.378952 N\n0.378952 0.621048 0.621048 N\n0.378952 0.378952 0.621048 N\n0.371048 0.371048 0.128952 N\n0.875000 0.375000 0.375000 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 0.9743194975716172,
"density_atomic": 0.02200047180003538,
"volume": 1090.8856963677208,
"volume_molar": 27.372780069154317,
"formula_full": "Cr8 N16",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.567294633333333,
"spacegroup": 227
}
]
}