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=3372",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3370",
"results": [
{
"id": "jvasp-66454",
"created_at": "2022-09-04T14:35:49.014400Z",
"updated_at": "2022-09-04T14:35:49.014434Z",
"structure_string": "Ba4 Fe1 W1\n1.0\n0.000000 4.779272 4.779272\n4.779272 0.000000 4.779272\n4.779272 4.779272 0.000000\nBa Fe W\n4 1 1\ndirect\n0.124825 0.625058 0.625058 Ba\n0.625058 0.625058 0.625058 Ba\n0.625058 0.124825 0.625058 Ba\n0.625058 0.625058 0.124825 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"W"
],
"chemical_system": "Ba-Fe-W",
"density": 6.000770369346355,
"density_atomic": 0.027481220121189375,
"volume": 218.3309173879694,
"volume_molar": 21.913658612838052,
"formula_full": "Ba4 Fe1 W1",
"formula_reduced": "Ba4FeW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2226648966666667,
"spacegroup": 216
},
{
"id": "jvasp-66036",
"created_at": "2022-09-04T14:35:48.269144Z",
"updated_at": "2022-09-04T14:35:48.269170Z",
"structure_string": "Ba4 Fe1 Te1\n1.0\n0.000000 4.920378 4.920378\n4.920378 0.000000 4.920378\n4.920378 4.920378 0.000000\nBa Fe Te\n4 1 1\ndirect\n0.125314 0.624895 0.624895 Ba\n0.624895 0.624895 0.624895 Ba\n0.624895 0.125314 0.624895 Ba\n0.624895 0.624895 0.125314 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Te"
],
"chemical_system": "Ba-Fe-Te",
"density": 5.1071816266724674,
"density_atomic": 0.025184066106862236,
"volume": 238.24588033324375,
"volume_molar": 23.912503780948494,
"formula_full": "Ba4 Fe1 Te1",
"formula_reduced": "Ba4FeTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7325045244444444,
"spacegroup": 216
},
{
"id": "jvasp-64057",
"created_at": "2022-09-04T14:35:57.491096Z",
"updated_at": "2022-09-04T14:35:57.491120Z",
"structure_string": "Ba4 Fe1 Sn1\n1.0\n-0.000000 4.907222 4.907222\n4.907222 0.000000 4.907222\n4.907222 4.907222 -0.000000\nBa Fe Sn\n4 1 1\ndirect\n0.124610 0.625130 0.625130 Ba\n0.625130 0.625130 0.625130 Ba\n0.625130 0.124610 0.625130 Ba\n0.625130 0.625130 0.124610 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Sn"
],
"chemical_system": "Ba-Fe-Sn",
"density": 5.0859063993395335,
"density_atomic": 0.02538716102875144,
"volume": 236.3399354975094,
"volume_molar": 23.721205979588703,
"formula_full": "Ba4 Fe1 Sn1",
"formula_reduced": "Ba4FeSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6744185133333332,
"spacegroup": 216
},
{
"id": "jvasp-66407",
"created_at": "2022-09-04T14:35:46.302707Z",
"updated_at": "2022-09-04T14:35:46.302732Z",
"structure_string": "Ba4 Fe1 Si1\n1.0\n-0.000000 4.836247 4.836247\n4.836247 0.000000 4.836247\n4.836247 4.836247 0.000000\nBa Fe Si\n4 1 1\ndirect\n0.124108 0.625298 0.625298 Ba\n0.625298 0.625298 0.625298 Ba\n0.625298 0.124108 0.625298 Ba\n0.625298 0.625298 0.124108 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Si"
],
"chemical_system": "Ba-Fe-Si",
"density": 4.647945138770025,
"density_atomic": 0.02652136269045906,
"volume": 226.23271926213928,
"volume_molar": 22.7067546652361,
"formula_full": "Ba4 Fe1 Si1",
"formula_reduced": "Ba4FeSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2210479966666663,
"spacegroup": 216
},
{
"id": "jvasp-66543",
"created_at": "2022-09-04T14:36:06.630540Z",
"updated_at": "2022-09-04T14:36:06.630561Z",
"structure_string": "Ba4 Fe1 Se1\n1.0\n-0.000000 4.851459 4.851459\n4.851459 -0.000000 4.851459\n4.851459 4.851459 -0.000000\nBa Fe Se\n4 1 1\ndirect\n0.124871 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124871 0.625043 Ba\n0.625043 0.625043 0.124871 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 4.974275656391567,
"density_atomic": 0.026272666818654367,
"volume": 228.3742279158286,
"volume_molar": 22.92169577442402,
"formula_full": "Ba4 Fe1 Se1",
"formula_reduced": "Ba4FeSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8318154577777777,
"spacegroup": 216
},
{
"id": "jvasp-56803",
"created_at": "2022-09-04T14:37:07.967475Z",
"updated_at": "2022-09-04T14:37:07.967491Z",
"structure_string": "Ba6 Fe6 Se14\n1.0\n5.514801 -9.551917 -0.000000\n5.514801 9.551917 -0.000000\n0.000000 -0.000000 7.103052\nBa Fe Se\n6 6 14\ndirect\n0.814473 0.628946 0.491850 Ba\n0.185527 0.371054 0.991850 Ba\n0.628946 0.814473 0.991850 Ba\n0.185527 0.814473 0.991850 Ba\n0.371054 0.185527 0.491850 Ba\n0.814473 0.185527 0.491850 Ba\n0.744744 0.255256 0.009702 Fe\n0.744744 0.489487 0.009702 Fe\n0.255256 0.510512 0.509702 Fe\n0.489487 0.744744 0.509702 Fe\n0.510512 0.255256 0.009702 Fe\n0.255256 0.744744 0.509702 Fe\n0.543615 0.456384 0.182742 Se\n0.543616 0.087232 0.182742 Se\n0.863671 0.727343 0.936484 Se\n0.727343 0.863671 0.436484 Se\n0.912768 0.456384 0.182742 Se\n0.272657 0.136328 0.936484 Se\n0.136328 0.272657 0.436484 Se\n0.333333 0.666667 0.240165 Se\n0.666667 0.333333 0.740165 Se\n0.136328 0.863672 0.436484 Se\n0.456384 0.543615 0.682742 Se\n0.456384 0.912768 0.682742 Se\n0.087232 0.543616 0.682742 Se\n0.863672 0.136328 0.936484 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 5.024821944312849,
"density_atomic": 0.03474385249096476,
"volume": 748.3338241423105,
"volume_molar": 17.33296778636185,
"formula_full": "Ba6 Fe6 Se14",
"formula_reduced": "Ba3Fe3Se7",
"formula_anonymous": "A3B3C7",
"energy_above_hull": 1.7396813828205129,
"spacegroup": 186
},
{
"id": "jvasp-94838",
"created_at": "2022-09-04T14:35:57.994673Z",
"updated_at": "2022-09-04T14:35:57.994693Z",
"structure_string": "Ba1 Fe2 Se4\n1.0\n0.000000 -0.000000 -5.249116\n-3.958415 3.958416 -2.624558\n3.958416 3.958415 -2.624558\nBa Fe Se\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ba\n0.750001 0.499999 0.500001 Fe\n0.250001 0.499999 0.500001 Fe\n0.297461 0.819000 0.586080 Se\n0.702541 0.180998 0.413921 Se\n0.883540 0.413920 0.819001 Se\n0.116461 0.586079 0.181000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 5.702019386530216,
"density_atomic": 0.04255387533775856,
"volume": 164.49735645554276,
"volume_molar": 14.151803360331044,
"formula_full": "Ba1 Fe2 Se4",
"formula_reduced": "Ba(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8757957766666664,
"spacegroup": 87
},
{
"id": "jvasp-63960",
"created_at": "2022-09-04T14:35:53.996468Z",
"updated_at": "2022-09-04T14:35:53.996495Z",
"structure_string": "Ba4 Fe1 Sb1\n1.0\n-0.000000 4.897725 4.897725\n4.897725 0.000000 4.897725\n4.897725 4.897725 0.000000\nBa Fe Sb\n4 1 1\ndirect\n0.124287 0.625237 0.625237 Ba\n0.625237 0.625237 0.625237 Ba\n0.625237 0.124287 0.625237 Ba\n0.625237 0.625237 0.124287 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Sb"
],
"chemical_system": "Ba-Fe-Sb",
"density": 5.137103882769893,
"density_atomic": 0.025535129533911582,
"volume": 234.97041563982597,
"volume_molar": 23.583748623645626,
"formula_full": "Ba4 Fe1 Sb1",
"formula_reduced": "Ba4FeSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.87913758,
"spacegroup": 216
},
{
"id": "jvasp-53439",
"created_at": "2022-09-04T14:35:49.705871Z",
"updated_at": "2022-09-04T14:35:49.705887Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n5.072555 0.019576 0.017261\n2.514560 5.333228 0.007152\n2.517406 0.010753 5.332671\nBa Fe S\n1 2 4\ndirect\n0.985678 -0.000004 -0.000006 Ba\n0.235879 0.500015 0.500010 Fe\n0.735892 0.499993 0.499993 Fe\n0.183640 0.413824 0.190534 S\n0.374283 0.809487 0.413850 S\n0.597501 0.190513 0.586146 S\n0.788133 0.586174 0.809471 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.357494531708043,
"density_atomic": 0.04868839555011629,
"volume": 143.77142481096362,
"volume_molar": 12.36873939253399,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701838528571424,
"spacegroup": 87
},
{
"id": "jvasp-18452",
"created_at": "2022-09-04T14:36:42.387443Z",
"updated_at": "2022-09-04T14:36:42.387462Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.559477 -0.000000 2.222141\n2.279738 5.322863 1.111071\n-0.052240 -0.000000 5.895915\nBa Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.500000 0.500000 Fe\n0.250000 0.500000 0.500000 Fe\n0.388417 0.413655 0.809512 S\n0.197928 0.190489 0.413655 S\n0.802073 0.809511 0.586345 S\n0.611584 0.586345 0.190489 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.359398176605016,
"density_atomic": 0.04870966589596671,
"volume": 143.7086432690892,
"volume_molar": 12.363338259929739,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701952814285708,
"spacegroup": 87
},
{
"id": "jvasp-98480",
"created_at": "2022-09-04T14:35:51.353315Z",
"updated_at": "2022-09-04T14:35:51.353338Z",
"structure_string": "Ba2 Fe4 S6\n1.0\n5.164670 -0.000000 -0.000000\n0.000000 6.693723 -1.477105\n-0.000000 0.172292 6.852597\nBa Fe S\n2 4 6\ndirect\n0.250000 0.320962 0.679038 Ba\n0.750000 0.679037 0.320962 Ba\n0.000000 0.854433 0.854433 Fe\n0.000000 0.145566 0.145566 Fe\n0.500000 0.145566 0.145566 Fe\n0.500000 0.854433 0.854433 Fe\n0.750000 0.178741 0.402868 S\n0.250000 0.821258 0.597132 S\n0.250000 0.402867 0.178741 S\n0.750000 0.597132 0.821258 S\n0.750000 0.112497 0.887503 S\n0.250000 0.887503 0.112496 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.812786216237074,
"density_atomic": 0.05037474256743704,
"volume": 238.21461685755537,
"volume_molar": 11.954682948380562,
"formula_full": "Ba2 Fe4 S6",
"formula_reduced": "BaFe2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0880278283333333,
"spacegroup": 63
},
{
"id": "jvasp-53662",
"created_at": "2022-09-04T14:35:49.251920Z",
"updated_at": "2022-09-04T14:35:49.251950Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.592651 0.170508 2.427811\n2.135000 5.620024 1.131933\n-0.290983 0.082239 6.110051\nBa Fe S\n1 2 4\ndirect\n0.750000 -0.000047 0.000047 Ba\n0.250000 0.499940 0.500060 Fe\n0.750000 0.500058 0.499942 Fe\n0.154059 0.500020 0.192120 S\n0.345941 0.807880 0.499979 S\n0.654069 0.192133 0.499983 S\n0.845931 0.500016 0.807867 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 3.930407540763122,
"density_atomic": 0.043916345878424703,
"volume": 159.39395366313872,
"volume_molar": 13.712754646461985,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.178048138571428,
"spacegroup": 97
}
]
}