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=-structure_string&page=9",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=7",
"results": [
{
"id": "jvasp-35613",
"created_at": "2022-09-04T14:37:39.487230Z",
"updated_at": "2022-09-04T14:37:39.487263Z",
"structure_string": "Zr4 Tl2 C2\n1.0\n1.694135 -2.934328 0.000000\n1.694135 2.934328 0.000000\n0.000000 -0.000000 15.017596\nZr Tl C\n4 2 2\ndirect\n0.666668 0.333334 0.417906 Zr\n0.333334 0.666668 0.582094 Zr\n0.333334 0.666668 0.917907 Zr\n0.666668 0.333334 0.082094 Zr\n0.666668 0.333334 0.750000 Tl\n0.333334 0.666668 0.250000 Tl\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Tl",
"C"
],
"chemical_system": "C-Tl-Zr",
"density": 8.871414950021757,
"density_atomic": 0.05358002375663736,
"volume": 149.3093776205909,
"volume_molar": 11.239526110239904,
"formula_full": "Zr4 Tl2 C2",
"formula_reduced": "Zr2TlC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3254104,
"spacegroup": 194
},
{
"id": "jvasp-50852",
"created_at": "2022-09-04T14:37:15.636143Z",
"updated_at": "2022-09-04T14:37:15.636168Z",
"structure_string": "Zr4 Ti4 O16\n1.0\n4.940857 -0.046041 -0.025044\n-0.062264 5.412388 -0.212554\n-0.365520 -0.441439 10.046221\nZr Ti O\n4 4 16\ndirect\n0.039002 0.727813 0.892200 Zr\n0.966866 0.287494 0.111363 Zr\n0.019360 0.710304 0.391492 Zr\n0.454893 0.212479 0.395796 Zr\n-0.004308 0.299784 0.627945 Ti\n0.493222 0.188291 0.870006 Ti\n0.512106 0.827041 0.133183 Ti\n0.539368 0.786895 0.624991 Ti\n0.805219 0.395487 0.471762 O\n0.760042 0.628560 0.210310 O\n0.684550 0.131553 0.224950 O\n0.728443 0.122249 0.710481 O\n0.742935 0.943326 0.985005 O\n0.675442 0.886665 0.463960 O\n0.255674 0.072246 0.006990 O\n0.233217 0.376462 0.786843 O\n0.252469 0.908307 0.269469 O\n0.329327 0.874318 0.775406 O\n0.758845 0.421999 0.947296 O\n0.196961 0.403632 0.283011 O\n0.292072 0.538260 0.536070 O\n0.249342 0.588628 0.044778 O\n0.195756 0.040357 0.530828 O\n0.819212 0.627850 0.705875 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 5.031350531756734,
"density_atomic": 0.08951610614956457,
"volume": 268.10817664365914,
"volume_molar": 6.727438244396082,
"formula_full": "Zr4 Ti4 O16",
"formula_reduced": "ZrTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.710981138888889,
"spacegroup": 1
},
{
"id": "jvasp-100320",
"created_at": "2022-09-04T14:36:32.768744Z",
"updated_at": "2022-09-04T14:36:32.768768Z",
"structure_string": "Zr4 Te6\n1.0\n6.266182 -0.007234 4.787407\n2.363053 5.803540 4.787407\n-0.010770 -0.007234 7.885695\nZr Te\n4 6\ndirect\n0.499999 0.500001 0.500000 Zr\n0.160895 0.160895 0.160895 Zr\n0.839104 0.839106 0.839105 Zr\n0.000000 0.000000 0.000000 Zr\n0.572645 0.267845 0.924254 Te\n0.924254 0.572646 0.267845 Te\n0.267844 0.924255 0.572646 Te\n0.732155 0.075746 0.427355 Te\n0.075745 0.427355 0.732155 Te\n0.427354 0.732156 0.075746 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 6.533116962474752,
"density_atomic": 0.03480184800579818,
"volume": 287.3410629899293,
"volume_molar": 17.304083274533806,
"formula_full": "Zr4 Te6",
"formula_reduced": "Zr2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.23364646,
"spacegroup": 148
},
{
"id": "jvasp-86768",
"created_at": "2022-09-04T14:36:13.342502Z",
"updated_at": "2022-09-04T14:36:13.342535Z",
"structure_string": "Zr4 Te4\n1.0\n3.813825 0.000000 0.000000\n0.000000 7.009754 0.000000\n0.000000 0.000000 7.452252\nZr Te\n4 4\ndirect\n0.749999 0.311702 0.991642 Zr\n0.749999 0.188298 0.491642 Zr\n0.250000 0.688297 0.008357 Zr\n0.250000 0.811702 0.508357 Zr\n0.250000 0.425841 0.708375 Te\n0.749999 0.574159 0.291624 Te\n0.250000 0.074159 0.208375 Te\n0.749999 0.925841 0.791624 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.295464871337074,
"density_atomic": 0.040154933992624126,
"volume": 199.22831902723294,
"volume_molar": 14.997262257002287,
"formula_full": "Zr4 Te4",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2936311333333332,
"spacegroup": 62
},
{
"id": "jvasp-86166",
"created_at": "2022-09-04T14:35:54.847412Z",
"updated_at": "2022-09-04T14:35:54.847434Z",
"structure_string": "Zr4 Te4\n1.0\n3.813784 -0.000000 0.000000\n0.000000 7.009831 0.000000\n0.000000 0.000000 7.452255\nZr Te\n4 4\ndirect\n0.749999 0.311697 0.991644 Zr\n0.749999 0.188303 0.491645 Zr\n0.250000 0.688303 0.008355 Zr\n0.250000 0.811697 0.508355 Zr\n0.250000 0.425844 0.708377 Te\n0.749999 0.574156 0.291622 Te\n0.250000 0.074156 0.208378 Te\n0.749999 0.925844 0.791622 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.295460225760715,
"density_atomic": 0.04015490842292907,
"volume": 199.22844589110997,
"volume_molar": 14.997271806903848,
"formula_full": "Zr4 Te4",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2936311333333332,
"spacegroup": 62
},
{
"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-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-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-90773",
"created_at": "2022-09-04T14:35:58.876296Z",
"updated_at": "2022-09-04T14:35:58.876322Z",
"structure_string": "Zr4 Sn4\n1.0\n5.354773 0.000000 0.000000\n0.000000 6.516488 0.000000\n0.000000 0.000000 5.354804\nZr Sn\n4 4\ndirect\n0.000000 0.248919 0.582670 Zr\n0.000000 0.500000 0.082781 Zr\n0.000000 0.751082 0.582670 Zr\n0.500000 0.500000 0.583886 Zr\n0.000000 0.000000 0.082730 Sn\n0.500000 0.000000 0.583961 Sn\n0.500000 0.263631 0.083984 Sn\n0.500000 0.736370 0.083984 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.462659486015703,
"density_atomic": 0.04281458542614968,
"volume": 186.85221216959104,
"volume_molar": 14.065629037533277,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.4527331,
"spacegroup": 123
},
{
"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
},
{
"id": "jvasp-15419",
"created_at": "2022-09-04T14:36:55.814938Z",
"updated_at": "2022-09-04T14:36:55.814972Z",
"structure_string": "Zr4 Sn2 C2\n1.0\n1.692858 -2.932115 0.000000\n1.692858 2.932115 -0.000000\n0.000000 0.000000 14.678843\nZr Sn C\n4 2 2\ndirect\n0.333334 0.666667 0.085188 Zr\n0.333334 0.666667 0.414812 Zr\n0.666667 0.333334 0.585188 Zr\n0.666667 0.333334 0.914812 Zr\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"C"
],
"chemical_system": "C-Sn-Zr",
"density": 7.1373022990921156,
"density_atomic": 0.05489927838466354,
"volume": 145.7214053697808,
"volume_molar": 10.969435186022997,
"formula_full": "Zr4 Sn2 C2",
"formula_reduced": "Zr2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.551205175,
"spacegroup": 194
},
{
"id": "jvasp-94359",
"created_at": "2022-09-04T14:36:02.261488Z",
"updated_at": "2022-09-04T14:36:02.261518Z",
"structure_string": "Zr4 Sn2\n1.0\n5.628583 0.000000 0.000000\n-2.814292 4.874496 0.000000\n0.000000 0.000000 4.967879\nZr Sn\n4 2\ndirect\n0.647916 0.647916 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.352085 0.500000 Zr\n0.352084 0.000000 0.500000 Zr\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666668 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.337932205525811,
"density_atomic": 0.04402014289271893,
"volume": 136.301238608483,
"volume_molar": 13.680420744377187,
"formula_full": "Zr4 Sn2",
"formula_reduced": "Zr2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5727869000000005,
"spacegroup": 189
}
]
}