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=-elements&page=3474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3472",
"results": [
{
"id": "jvasp-94886",
"created_at": "2022-09-04T14:36:01.110015Z",
"updated_at": "2022-09-04T14:36:01.110049Z",
"structure_string": "Al2 Fe1 S4\n1.0\n-1.783680 -3.089426 0.000000\n1.783680 -3.089426 0.000000\n0.000000 -2.059617 11.910891\nAl Fe S\n2 1 4\ndirect\n0.240365 0.240365 0.278908 Al\n0.758493 0.758493 0.724527 Al\n0.999436 0.999436 0.001694 Fe\n0.120794 0.120794 0.637620 S\n0.878060 0.878060 0.365824 S\n0.696347 0.696347 0.910962 S\n0.302512 0.302512 0.092465 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Fe",
"S"
],
"chemical_system": "Al-Fe-S",
"density": 3.011488963692435,
"density_atomic": 0.05332477776641092,
"volume": 131.2710580935468,
"volume_molar": 11.29332556504966,
"formula_full": "Al2 Fe1 S4",
"formula_reduced": "Al2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2128415857142856,
"spacegroup": 166
},
{
"id": "jvasp-59898",
"created_at": "2022-09-04T14:37:15.793172Z",
"updated_at": "2022-09-04T14:37:15.793196Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"S"
],
"chemical_system": "Al-Fe-S",
"density": 3.8477978281833036,
"density_atomic": 0.06076609076176406,
"volume": 230.3916514045238,
"volume_molar": 9.910363962049242,
"formula_full": "Al2 Fe4 S8",
"formula_reduced": "Al(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.543790542857143,
"spacegroup": 44
},
{
"id": "jvasp-28431",
"created_at": "2022-09-04T14:37:01.931345Z",
"updated_at": "2022-09-04T14:37:01.931371Z",
"structure_string": "Al2 Fe1 S4\n1.0\n-1.772672 -3.070357 0.000000\n1.772672 -3.070357 0.000000\n-0.000000 -2.046904 11.942283\nAl Fe S\n2 1 4\ndirect\n0.699872 0.699872 0.900385 Al\n0.468577 0.468577 0.594269 Al\n0.936960 0.936960 0.189124 Fe\n-0.000269 -0.000269 0.000807 S\n0.829650 0.829650 0.511051 S\n0.586051 0.586051 0.241846 S\n0.406361 0.406361 0.780917 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Fe",
"S"
],
"chemical_system": "Al-Fe-S",
"density": 3.040994589274967,
"density_atomic": 0.053847237236133924,
"volume": 129.99738443967343,
"volume_molar": 11.18375067896496,
"formula_full": "Al2 Fe1 S4",
"formula_reduced": "Al2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2165887285714287,
"spacegroup": 160
},
{
"id": "jvasp-41794",
"created_at": "2022-09-04T14:37:33.798196Z",
"updated_at": "2022-09-04T14:37:33.798219Z",
"structure_string": "Al1 Fe1 Rh2\n1.0\n0.000000 3.002346 3.002346\n3.002346 0.000000 3.002346\n3.002346 3.002346 0.000000\nAl Fe Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Al\n0.750001 0.750001 0.750001 Fe\n0.000000 0.000000 0.000000 Rh\n0.500002 0.500002 0.500002 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Rh"
],
"chemical_system": "Al-Fe-Rh",
"density": 8.855022995022692,
"density_atomic": 0.07390056773092483,
"volume": 54.12678309271145,
"volume_molar": 8.148977666757412,
"formula_full": "Al1 Fe1 Rh2",
"formula_reduced": "AlFeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.582706075,
"spacegroup": 225
},
{
"id": "jvasp-106482",
"created_at": "2022-09-04T14:36:55.061357Z",
"updated_at": "2022-09-04T14:36:55.061377Z",
"structure_string": "Al2 Fe1 Rh1\n1.0\n3.593999 -0.000000 2.074996\n1.198000 3.388454 2.074996\n-0.000000 0.000000 4.149992\nAl Fe Rh\n2 1 1\ndirect\n0.750001 0.749999 0.750001 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.499999 0.500001 Fe\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Rh"
],
"chemical_system": "Al-Fe-Rh",
"density": 6.989039628068416,
"density_atomic": 0.07914676813021243,
"volume": 50.5390187685136,
"volume_molar": 7.60882712240677,
"formula_full": "Al2 Fe1 Rh1",
"formula_reduced": "Al2FeRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.243931025,
"spacegroup": 225
},
{
"id": "jvasp-49693",
"created_at": "2022-09-04T14:37:14.194706Z",
"updated_at": "2022-09-04T14:37:14.194722Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.852496 -0.000497 -0.000833\n0.000454 4.926671 -0.001774\n0.001159 0.002623 7.258385\nAl Fe O\n4 4 12\ndirect\n0.005165 0.040011 0.749893 Al\n0.505173 0.459996 0.249897 Al\n0.494827 0.540002 0.750104 Al\n0.994835 0.959988 0.250109 Al\n-0.000000 0.500000 0.500001 Fe\n0.500001 -0.000001 0.500001 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.360146 0.897058 0.749973 O\n0.860145 0.602940 0.249972 O\n0.333057 0.670327 0.075010 O\n0.833011 0.829644 0.924792 O\n0.166935 0.170323 0.424997 O\n0.833066 0.829676 0.575004 O\n0.666943 0.329671 0.924991 O\n0.166989 0.170355 0.075209 O\n0.639854 0.102941 0.250029 O\n0.333009 0.670357 0.424795 O\n0.666991 0.329642 0.575206 O\n0.139855 0.397059 0.750030 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 5.007721225528681,
"density_atomic": 0.11525802550846875,
"volume": 173.52370832112226,
"volume_molar": 5.224920983534907,
"formula_full": "Al4 Fe4 O12",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1989797600000003,
"spacegroup": 62
},
{
"id": "jvasp-52118",
"created_at": "2022-09-04T14:37:07.557498Z",
"updated_at": "2022-09-04T14:37:07.557518Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.017822 0.000000 2.897041\n1.672607 4.730848 2.897041\n-0.000000 -0.000000 5.794081\nAl Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.875000 0.875000 0.874999 Fe\n0.125000 0.125000 0.125000 Fe\n0.735006 0.735006 0.735005 O\n0.264994 0.264994 0.705017 O\n0.264994 0.705017 0.264994 O\n0.705017 0.264994 0.264994 O\n0.735006 0.294983 0.735006 O\n0.294983 0.735006 0.735005 O\n0.264994 0.264994 0.264994 O\n0.735006 0.735006 0.294983 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.196664422738448,
"density_atomic": 0.10178627651562233,
"volume": 137.54309990749348,
"volume_molar": 5.91645648721192,
"formula_full": "Al4 Fe2 O8",
"formula_reduced": "Al2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3037335857142853,
"spacegroup": 227
},
{
"id": "jvasp-58468",
"created_at": "2022-09-04T14:38:34.151794Z",
"updated_at": "2022-09-04T14:38:34.151822Z",
"structure_string": "Al2 Fe4 O8\n1.0\n5.128833 0.042711 2.892356\n1.709245 4.835827 2.892356\n0.059866 0.042711 5.887875\nAl Fe O\n2 4 8\ndirect\n0.625003 0.625003 0.625004 Al\n0.374997 0.374997 0.374997 Al\n-0.000001 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.000001 Fe\n0.000000 -0.000000 0.499999 Fe\n0.250305 0.749895 0.749895 O\n0.250105 0.250105 0.749695 O\n0.250104 0.749695 0.250106 O\n0.250112 0.250113 0.250113 O\n0.749894 0.749895 0.250306 O\n0.749695 0.250105 0.250106 O\n0.749895 0.250305 0.749895 O\n0.749887 0.749887 0.749888 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.662842376477232,
"density_atomic": 0.0969866716539147,
"volume": 144.34973137295938,
"volume_molar": 6.209245721401067,
"formula_full": "Al2 Fe4 O8",
"formula_reduced": "Al(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.685903971428571,
"spacegroup": 227
},
{
"id": "jvasp-34178",
"created_at": "2022-09-04T14:37:29.126003Z",
"updated_at": "2022-09-04T14:37:29.126017Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.017822 0.000000 2.897041\n1.672607 4.730848 2.897041\n-0.000000 -0.000000 5.794081\nAl Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.875000 0.875000 0.874999 Fe\n0.125000 0.125000 0.125000 Fe\n0.735006 0.735006 0.735005 O\n0.264994 0.264994 0.705017 O\n0.264994 0.705017 0.264994 O\n0.705017 0.264994 0.264994 O\n0.735006 0.294983 0.735006 O\n0.294983 0.735006 0.735005 O\n0.264994 0.264994 0.264994 O\n0.735006 0.735006 0.294983 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.196664422738448,
"density_atomic": 0.10178627651562233,
"volume": 137.54309990749348,
"volume_molar": 5.91645648721192,
"formula_full": "Al4 Fe2 O8",
"formula_reduced": "Al2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3037335857142853,
"spacegroup": 227
},
{
"id": "jvasp-43622",
"created_at": "2022-09-04T14:35:43.951540Z",
"updated_at": "2022-09-04T14:35:43.951551Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.857429 0.000000 0.000000\n-0.000000 5.116886 0.000000\n0.000000 0.000000 7.351298\nAl Fe O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.024807 0.945166 0.750000 Fe\n0.475193 0.445165 0.750000 Fe\n0.524808 0.554835 0.250000 Fe\n0.975193 0.054835 0.250000 Fe\n0.808904 0.804794 0.071639 O\n0.691097 0.304794 0.428361 O\n0.691097 0.304794 0.071639 O\n0.638219 0.057893 0.750000 O\n0.361781 0.942108 0.250000 O\n0.191097 0.195207 0.571640 O\n0.308904 0.695207 0.928361 O\n0.191097 0.195207 0.928361 O\n0.808904 0.804794 0.428361 O\n0.138219 0.442107 0.250000 O\n0.308904 0.695207 0.571640 O\n0.861781 0.557894 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.755790703830712,
"density_atomic": 0.10945957683520803,
"volume": 182.71585345254994,
"volume_molar": 5.501702942873939,
"formula_full": "Al4 Fe4 O12",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.18492576,
"spacegroup": 62
},
{
"id": "jvasp-16925",
"created_at": "2022-09-04T14:37:01.260967Z",
"updated_at": "2022-09-04T14:37:01.260994Z",
"structure_string": "Al1 Fe1 O3\n1.0\n3.696341 0.000000 0.000000\n0.000000 3.696341 0.000000\n0.000000 0.000000 3.695971\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.30195991244959,
"density_atomic": 0.09901417890393406,
"volume": 50.497818144319716,
"volume_molar": 6.082099378759507,
"formula_full": "Al1 Fe1 O3",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.39717176,
"spacegroup": 221
},
{
"id": "jvasp-19282",
"created_at": "2022-09-04T14:37:00.103610Z",
"updated_at": "2022-09-04T14:37:00.103643Z",
"structure_string": "Al4 Fe4 O14\n1.0\n5.665597 0.000081 3.271183\n1.888624 5.341846 3.271159\n-0.000243 -0.000203 6.542787\nAl Fe O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500001 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500001 0.500000 Al\n0.000000 0.500000 -0.000000 Fe\n0.500001 -0.000001 -0.000001 Fe\n0.000001 -0.000001 0.500000 Fe\n0.000000 -0.000000 -0.000000 Fe\n0.656699 0.093322 0.093272 O\n0.093389 0.093326 0.656653 O\n0.656682 0.656696 0.093277 O\n0.906611 0.343376 0.343361 O\n0.343347 0.906675 0.343320 O\n0.343317 0.343306 0.906723 O\n0.343301 0.906680 0.906728 O\n0.906610 0.343333 0.906721 O\n0.093390 0.656624 0.656639 O\n0.656654 0.093325 0.656680 O\n0.375037 0.374992 0.374964 O\n0.624963 0.625009 0.625036 O\n0.906611 0.906675 0.343348 O\n0.093389 0.656669 0.093278 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.656531780642029,
"density_atomic": 0.11109902241212309,
"volume": 198.02154440559116,
"volume_molar": 5.420516426923002,
"formula_full": "Al4 Fe4 O14",
"formula_reduced": "Al2Fe2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8030346454545456,
"spacegroup": 227
}
]
}