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=formula_reduced&page=4632",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4630",
"results": [
{
"id": "jvasp-40824",
"created_at": "2022-09-04T14:37:50.656899Z",
"updated_at": "2022-09-04T14:37:50.656924Z",
"structure_string": "Zr1 Si1 Pt1\n1.0\n3.762540 0.000000 2.172304\n1.254180 3.547357 2.172304\n-0.000000 0.000000 4.344607\nZr Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Zr",
"density": 9.002976891470444,
"density_atomic": 0.05173503343885789,
"volume": 57.98778507692463,
"volume_molar": 11.640353469795587,
"formula_full": "Zr1 Si1 Pt1",
"formula_reduced": "ZrSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6433281666666666,
"spacegroup": 216
},
{
"id": "jvasp-15825",
"created_at": "2022-09-04T14:36:30.684056Z",
"updated_at": "2022-09-04T14:36:30.684089Z",
"structure_string": "Zr3 Si3 Ru3\n1.0\n3.359646 -5.819076 -0.000000\n3.359646 5.819076 0.000000\n-0.000000 0.000000 3.720571\nZr Si Ru\n3 3 3\ndirect\n0.584933 0.584933 0.500000 Zr\n0.000000 0.415068 0.500000 Zr\n0.415068 0.000000 0.500000 Zr\n0.000000 0.000000 0.500000 Si\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n0.755381 0.000000 0.000000 Ru\n0.000000 0.755381 0.000000 Ru\n0.244620 0.244620 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 7.546653411665929,
"density_atomic": 0.06186647459635579,
"volume": 145.47458956922915,
"volume_molar": 9.734093948768063,
"formula_full": "Zr3 Si3 Ru3",
"formula_reduced": "ZrSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.2394545333333338,
"spacegroup": 189
},
{
"id": "jvasp-102446",
"created_at": "2022-09-04T14:36:42.539881Z",
"updated_at": "2022-09-04T14:36:42.539902Z",
"structure_string": "Zr1 Si1 Ru2\n1.0\n3.808268 -0.000000 2.198705\n1.269423 3.590470 2.198705\n-0.000000 -0.000000 4.397410\nZr Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.499999 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 8.87740608423615,
"density_atomic": 0.06652489929699748,
"volume": 60.12786253372855,
"volume_molar": 9.05246129440109,
"formula_full": "Zr1 Si1 Ru2",
"formula_reduced": "ZrSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.932218525000001,
"spacegroup": 225
},
{
"id": "jvasp-15288",
"created_at": "2022-09-04T14:36:45.726719Z",
"updated_at": "2022-09-04T14:36:45.726745Z",
"structure_string": "Zr2 Si2 S2\n1.0\n3.574541 0.000000 -0.000000\n0.000000 3.574541 0.000000\n0.000000 0.000000 8.130477\nZr Si S\n2 2 2\ndirect\n0.500000 0.000000 0.729251 Zr\n0.000000 0.500000 0.270749 Zr\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.621675 S\n0.500000 0.000000 0.378325 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"S"
],
"chemical_system": "S-Si-Zr",
"density": 4.83921840890847,
"density_atomic": 0.057755674377588814,
"volume": 103.88589631511958,
"volume_molar": 10.42692484314026,
"formula_full": "Zr2 Si2 S2",
"formula_reduced": "ZrSiS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.337431033333333,
"spacegroup": 129
},
{
"id": "jvasp-15421",
"created_at": "2022-09-04T14:36:57.769327Z",
"updated_at": "2022-09-04T14:36:57.769347Z",
"structure_string": "Zr2 Si2 Se2\n1.0\n3.648654 -0.000000 -0.000000\n0.000000 3.648654 -0.000000\n-0.000000 0.000000 8.502169\nZr Si Se\n2 2 2\ndirect\n0.499999 0.000000 0.744853 Zr\n0.000000 0.499999 0.255147 Zr\n0.499999 0.499999 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.499999 0.624617 Se\n0.499999 0.000000 0.375384 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Se"
],
"chemical_system": "Se-Si-Zr",
"density": 5.817547104096159,
"density_atomic": 0.053009798608819526,
"volume": 113.18662129385542,
"volume_molar": 11.360429426340179,
"formula_full": "Zr2 Si2 Se2",
"formula_reduced": "ZrSiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2489688222222224,
"spacegroup": 129
},
{
"id": "jvasp-17551",
"created_at": "2022-09-04T14:38:31.097530Z",
"updated_at": "2022-09-04T14:38:31.097551Z",
"structure_string": "Zr2 Si2 Te2\n1.0\n3.717071 -0.000000 -0.000000\n0.000000 3.717071 0.000000\n-0.000000 0.000000 9.867460\nZr Si Te\n2 2 2\ndirect\n0.500000 0.000000 0.282791 Zr\n0.000000 0.500000 0.717208 Zr\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.147201 Te\n0.500000 0.000000 0.852799 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Te"
],
"chemical_system": "Si-Te-Zr",
"density": 6.014642313479794,
"density_atomic": 0.04400926976727657,
"volume": 136.33491379721428,
"volume_molar": 13.683800689821508,
"formula_full": "Zr2 Si2 Te2",
"formula_reduced": "ZrSiTe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.207363622222222,
"spacegroup": 129
},
{
"id": "jvasp-90580",
"created_at": "2022-09-04T14:35:43.619192Z",
"updated_at": "2022-09-04T14:35:43.619216Z",
"structure_string": "Zr4 Sn4\n1.0\n6.002943 0.000000 0.000000\n0.000000 5.594129 0.000000\n0.000000 0.000000 5.594061\nZr Sn\n4 4\ndirect\n0.869370 0.500050 0.250000 Zr\n0.130629 0.000050 0.250000 Zr\n0.869370 0.999950 0.750000 Zr\n0.130629 0.499950 0.750000 Zr\n0.643965 0.000065 0.250000 Sn\n0.356034 0.500065 0.250000 Sn\n0.643965 0.499936 0.750000 Sn\n0.356034 0.999936 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.422803693852383,
"density_atomic": 0.04258592576111994,
"volume": 187.85549115158213,
"volume_molar": 14.141152628172026,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3903081,
"spacegroup": 129
},
{
"id": "jvasp-90775",
"created_at": "2022-09-04T14:36:08.566659Z",
"updated_at": "2022-09-04T14:36:08.566692Z",
"structure_string": "Zr4 Sn4\n1.0\n6.381750 0.000000 0.000000\n-3.190875 5.526757 0.000000\n-0.000000 0.000000 5.267699\nZr Sn\n4 4\ndirect\n0.999989 0.499995 0.000000 Zr\n0.500005 0.499995 0.000000 Zr\n0.500005 0.000011 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.340421 0.170211 0.500000 Sn\n0.829789 0.170211 0.500000 Sn\n0.829789 0.659579 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.505173930970187,
"density_atomic": 0.04305849824821533,
"volume": 185.79375327683613,
"volume_molar": 13.985951682022732,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.4833731,
"spacegroup": 187
},
{
"id": "jvasp-80519",
"created_at": "2022-09-04T14:37:13.157589Z",
"updated_at": "2022-09-04T14:37:13.157612Z",
"structure_string": "Zr2 Sn2\n1.0\n5.406841 0.000000 0.000000\n0.000000 3.113299 0.000000\n0.000000 0.000000 5.407219\nZr Sn\n2 2\ndirect\n0.250000 0.000000 0.249914 Zr\n0.750000 0.000000 0.750086 Zr\n0.250000 0.500000 0.749918 Sn\n0.750000 0.500000 0.250083 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.6599067709539375,
"density_atomic": 0.04394622767069927,
"volume": 91.02032670410439,
"volume_molar": 13.70343048583259,
"formula_full": "Zr2 Sn2",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3965081,
"spacegroup": 123
},
{
"id": "jvasp-78559",
"created_at": "2022-09-04T14:37:01.892651Z",
"updated_at": "2022-09-04T14:37:01.892677Z",
"structure_string": "Zr1 Sn1\n1.0\n3.569822 0.000000 0.000000\n0.000000 3.569822 0.000000\n0.000000 0.000000 3.569822\nZr Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.662882974401251,
"density_atomic": 0.043963302671505534,
"volume": 45.49248756273,
"volume_molar": 13.698108181265468,
"formula_full": "Zr1 Sn1",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.4515531,
"spacegroup": 221
},
{
"id": "jvasp-92178",
"created_at": "2022-09-04T14:35:56.796960Z",
"updated_at": "2022-09-04T14:35:56.796986Z",
"structure_string": "Zr4 Sn4\n1.0\n5.812225 -0.000000 0.000000\n-0.000000 5.254411 0.000000\n0.000000 0.000000 5.958457\nZr Sn\n4 4\ndirect\n0.103541 0.250000 0.875761 Zr\n0.603540 0.250000 0.624240 Zr\n0.396459 0.750000 0.375761 Zr\n0.896459 0.750000 0.124240 Zr\n0.114554 0.250000 0.375072 Sn\n0.614554 0.250000 0.124928 Sn\n0.385445 0.750000 0.875073 Sn\n0.885445 0.750000 0.624928 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.662872535328522,
"density_atomic": 0.043963242780715665,
"volume": 181.9701981471934,
"volume_molar": 13.698126842093624,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3797631,
"spacegroup": 62
},
{
"id": "jvasp-90772",
"created_at": "2022-09-04T14:35:51.436230Z",
"updated_at": "2022-09-04T14:35:51.436256Z",
"structure_string": "Zr4 Sn4\n1.0\n3.114304 0.000000 0.000000\n0.000000 5.124718 0.000000\n0.000000 0.000000 12.429247\nZr Sn\n4 4\ndirect\n0.000000 0.000000 0.536827 Zr\n0.499999 0.000000 0.295477 Zr\n0.000000 0.500000 0.704523 Zr\n0.499999 0.500000 0.463172 Zr\n0.000000 0.000000 0.066714 Sn\n0.499999 0.000000 0.757740 Sn\n0.000000 0.500000 0.242260 Sn\n0.499999 0.500000 0.933286 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.02936468278546,
"density_atomic": 0.04032869719791531,
"volume": 198.36990916764697,
"volume_molar": 14.932643944449808,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.5127681,
"spacegroup": 59
}
]
}