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=3374",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3372",
"results": [
{
"id": "jvasp-95325",
"created_at": "2022-09-04T14:36:31.920236Z",
"updated_at": "2022-09-04T14:36:31.920263Z",
"structure_string": "Ba1 Fe1 O3\n1.0\n3.951722 -0.017134 0.017202\n0.017053 3.951722 0.017202\n-0.017283 -0.017134 3.951720\nBa Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.500000 Fe\n0.000001 0.500000 0.499999 O\n0.499998 0.500000 0.000000 O\n0.500000 0.000002 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O",
"density": 6.48917095624327,
"density_atomic": 0.0810189254885254,
"volume": 61.71397571433038,
"volume_molar": 7.433004972218383,
"formula_full": "Ba1 Fe1 O3",
"formula_reduced": "BaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.792042394,
"spacegroup": 221
},
{
"id": "jvasp-66229",
"created_at": "2022-09-04T14:36:10.852670Z",
"updated_at": "2022-09-04T14:36:10.852698Z",
"structure_string": "Ba4 Fe1 Ni1\n1.0\n0.000000 4.806787 4.806787\n4.806787 0.000000 4.806787\n4.806787 4.806787 -0.000000\nBa Fe Ni\n4 1 1\ndirect\n0.124930 0.625024 0.625024 Ba\n0.625024 0.625024 0.625024 Ba\n0.625024 0.124930 0.625024 Ba\n0.625024 0.625024 0.124930 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ni"
],
"chemical_system": "Ba-Fe-Ni",
"density": 4.96274627891645,
"density_atomic": 0.027011992525496107,
"volume": 222.12356213029136,
"volume_molar": 22.294322621020335,
"formula_full": "Ba4 Fe1 Ni1",
"formula_reduced": "Ba4FeNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8704536299999999,
"spacegroup": 216
},
{
"id": "jvasp-108172",
"created_at": "2022-09-04T14:35:53.630750Z",
"updated_at": "2022-09-04T14:35:53.630767Z",
"structure_string": "Ba2 Fe4 N4\n1.0\n4.298575 0.000000 4.645200\n4.298575 4.298575 0.000000\n-0.000000 -0.000000 9.290400\nBa Fe N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.730994 0.500001 0.634504 Fe\n0.269005 0.500001 0.365497 Fe\n0.269006 0.230994 0.865497 Fe\n0.730993 0.769007 0.134504 Fe\n0.680549 0.500001 0.159725 N\n0.319449 0.500001 0.840275 N\n0.319450 0.180550 0.340275 N\n0.680549 0.819451 0.659726 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 5.3594853987733115,
"density_atomic": 0.05825276843936868,
"volume": 171.66566101331847,
"volume_molar": 10.337947742806481,
"formula_full": "Ba2 Fe4 N4",
"formula_reduced": "Ba(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.512086694,
"spacegroup": 140
},
{
"id": "jvasp-101757",
"created_at": "2022-09-04T14:36:39.099712Z",
"updated_at": "2022-09-04T14:36:39.099721Z",
"structure_string": "Ba2 Fe1 N2\n1.0\n3.933283 0.000000 -1.207391\n-0.371292 3.914924 -1.209546\n-0.000718 0.003199 7.008027\nBa Fe N\n2 1 2\ndirect\n0.861362 0.861361 0.222723 Ba\n0.138638 0.138638 0.777277 Ba\n0.500000 0.500000 0.500000 Fe\n0.366805 0.366805 0.233610 N\n0.633194 0.633194 0.766390 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 5.5160173408524775,
"density_atomic": 0.046327871605966804,
"volume": 107.92639132068446,
"volume_molar": 12.998958405040083,
"formula_full": "Ba2 Fe1 N2",
"formula_reduced": "Ba2FeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.704334788,
"spacegroup": 139
},
{
"id": "jvasp-76247",
"created_at": "2022-09-04T14:36:40.097799Z",
"updated_at": "2022-09-04T14:36:40.097823Z",
"structure_string": "Ba6 Fe2 N6\n1.0\n8.055437 -0.000000 0.000000\n-4.027718 6.976213 -0.000000\n-0.000000 -0.000000 5.621925\nBa Fe N\n6 2 6\ndirect\n0.726070 0.637207 0.749999 Ba\n0.088862 0.726069 0.250000 Ba\n0.637207 0.911137 0.250000 Ba\n0.362793 0.088863 0.749999 Ba\n0.911138 0.273930 0.749999 Ba\n0.273930 0.362793 0.250000 Ba\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.749999 Fe\n0.556260 0.873162 0.749999 N\n0.683099 0.556260 0.250000 N\n0.873163 0.316901 0.250000 N\n0.126837 0.683098 0.749999 N\n0.316901 0.443740 0.749999 N\n0.443740 0.126838 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 5.359500423033046,
"density_atomic": 0.0443133058649597,
"volume": 315.9321952341714,
"volume_molar": 13.589915359399866,
"formula_full": "Ba6 Fe2 N6",
"formula_reduced": "Ba3FeN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.854363308571428,
"spacegroup": 176
},
{
"id": "jvasp-102237",
"created_at": "2022-09-04T14:36:42.342727Z",
"updated_at": "2022-09-04T14:36:42.342755Z",
"structure_string": "Ba1 Fe2 N2\n1.0\n3.346586 0.000138 -0.000011\n-1.673388 2.898150 0.000036\n-0.000023 -0.000079 6.739398\nBa Fe N\n1 2 2\ndirect\n0.000001 -0.000008 0.500003 Ba\n0.666663 0.333322 0.105396 Fe\n0.333339 0.666659 0.894602 Fe\n0.666670 0.333325 0.826820 N\n0.333332 0.666655 0.173181 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 7.037561969314594,
"density_atomic": 0.07649194601220898,
"volume": 65.36635895237838,
"volume_molar": 7.872908291598176,
"formula_full": "Ba1 Fe2 N2",
"formula_reduced": "Ba(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5633786940000003,
"spacegroup": 164
},
{
"id": "jvasp-66204",
"created_at": "2022-09-04T14:35:46.450244Z",
"updated_at": "2022-09-04T14:35:46.450278Z",
"structure_string": "Ba4 Fe1 Mo1\n1.0\n-0.000000 4.842677 4.842677\n4.842677 0.000000 4.842677\n4.842677 4.842677 -0.000000\nBa Fe Mo\n4 1 1\ndirect\n0.125456 0.624849 0.624849 Ba\n0.624849 0.624849 0.624849 Ba\n0.624849 0.125456 0.624849 Ba\n0.624849 0.624849 0.125456 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Mo"
],
"chemical_system": "Ba-Fe-Mo",
"density": 5.1255234319017005,
"density_atomic": 0.026415859453388202,
"volume": 227.13627813576272,
"volume_molar": 22.79744397726789,
"formula_full": "Ba4 Fe1 Mo1",
"formula_reduced": "Ba4FeMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8416375466666663,
"spacegroup": 216
},
{
"id": "jvasp-65736",
"created_at": "2022-09-04T14:36:06.469098Z",
"updated_at": "2022-09-04T14:36:06.469126Z",
"structure_string": "Ba1 Fe1 Ir2\n1.0\n-2.095856 2.095856 4.233968\n2.095856 -2.095856 4.233968\n2.095856 2.095856 -4.233968\nBa Fe Ir\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Fe\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ir"
],
"chemical_system": "Ba-Fe-Ir",
"density": 12.892892162356254,
"density_atomic": 0.05376870145534626,
"volume": 74.39272089027318,
"volume_molar": 11.20008591801544,
"formula_full": "Ba1 Fe1 Ir2",
"formula_reduced": "BaFeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3678759175,
"spacegroup": 139
},
{
"id": "jvasp-66059",
"created_at": "2022-09-04T14:35:56.001296Z",
"updated_at": "2022-09-04T14:35:56.001318Z",
"structure_string": "Ba4 Fe1 Ir1\n1.0\n0.000000 4.679749 4.679749\n4.679749 -0.000000 4.679749\n4.679749 4.679749 -0.000000\nBa Fe Ir\n4 1 1\ndirect\n0.123713 0.625430 0.625430 Ba\n0.625430 0.625430 0.625430 Ba\n0.625430 0.123713 0.625430 Ba\n0.625430 0.625430 0.123713 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ir"
],
"chemical_system": "Ba-Fe-Ir",
"density": 6.459684592661102,
"density_atomic": 0.02927207938270952,
"volume": 204.97348075463646,
"volume_molar": 20.572985886192864,
"formula_full": "Ba4 Fe1 Ir1",
"formula_reduced": "Ba4FeIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5408167466666662,
"spacegroup": 216
},
{
"id": "jvasp-68948",
"created_at": "2022-09-04T14:36:06.878334Z",
"updated_at": "2022-09-04T14:36:06.878347Z",
"structure_string": "Ba1 Fe1 Hg4\n1.0\n0.000000 4.323376 4.323376\n4.323376 -0.000000 4.323376\n4.323376 4.323376 -0.000000\nBa Fe Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.122167 0.625945 0.625945 Hg\n0.625945 0.625945 0.625945 Hg\n0.625945 0.122167 0.625945 Hg\n0.625945 0.625945 0.122167 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Hg"
],
"chemical_system": "Ba-Fe-Hg",
"density": 10.228343488579808,
"density_atomic": 0.03712378361588185,
"volume": 161.62145707134096,
"volume_molar": 16.221786071998544,
"formula_full": "Ba1 Fe1 Hg4",
"formula_reduced": "BaFeHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66167",
"created_at": "2022-09-04T14:35:46.916168Z",
"updated_at": "2022-09-04T14:35:46.916191Z",
"structure_string": "Ba4 Fe1 Hg1\n1.0\n-0.000000 4.908238 4.908238\n4.908238 0.000000 4.908238\n4.908238 4.908238 0.000000\nBa Fe Hg\n4 1 1\ndirect\n0.125954 0.624682 0.624682 Ba\n0.624682 0.624682 0.624682 Ba\n0.624682 0.125954 0.624682 Ba\n0.624682 0.624682 0.125954 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Hg"
],
"chemical_system": "Ba-Fe-Hg",
"density": 5.657685505623503,
"density_atomic": 0.025371398946649873,
"volume": 236.48676261867146,
"volume_molar": 23.73594287277243,
"formula_full": "Ba4 Fe1 Hg1",
"formula_reduced": "Ba4FeHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.45998066875,
"spacegroup": 216
},
{
"id": "jvasp-66316",
"created_at": "2022-09-04T14:36:15.687532Z",
"updated_at": "2022-09-04T14:36:15.687551Z",
"structure_string": "Ba4 Fe1 Ge1\n1.0\n0.000000 4.852911 4.852911\n4.852911 -0.000000 4.852911\n4.852911 4.852911 0.000000\nBa Fe Ge\n4 1 1\ndirect\n0.124232 0.625256 0.625256 Ba\n0.625256 0.625256 0.625256 Ba\n0.625256 0.124232 0.625256 Ba\n0.625256 0.625256 0.124232 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ge"
],
"chemical_system": "Ba-Fe-Ge",
"density": 4.92389973865717,
"density_atomic": 0.0262490913814996,
"volume": 228.57934062543623,
"volume_molar": 22.94228273457273,
"formula_full": "Ba4 Fe1 Ge1",
"formula_reduced": "Ba4FeGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7712808883333333,
"spacegroup": 216
}
]
}