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=342",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=340",
"results": [
{
"id": "jvasp-79824",
"created_at": "2022-09-04T14:37:16.336903Z",
"updated_at": "2022-09-04T14:37:16.336915Z",
"structure_string": "Fe2 S2\n1.0\n3.337686 0.000000 -0.000000\n1.668842 2.890520 -0.000000\n-0.000000 -0.000000 5.114450\nFe S\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666666 0.666667 0.250005 S\n0.333334 0.333333 0.749995 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.9169374772299035,
"density_atomic": 0.08106615940919498,
"volume": 49.342414012847605,
"volume_molar": 7.428674065589119,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.6013577499999996,
"spacegroup": 194
},
{
"id": "jvasp-79816",
"created_at": "2022-09-04T14:37:15.895683Z",
"updated_at": "2022-09-04T14:37:15.895712Z",
"structure_string": "Fe2 S2\n1.0\n3.338378 -0.000000 -0.000000\n-1.669190 2.891120 0.000000\n-0.000000 0.000000 5.113478\nFe S\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666667 0.333333 0.750000 S\n0.333333 0.666667 0.250000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.91560753749056,
"density_atomic": 0.0810479383096263,
"volume": 49.353507114750485,
"volume_molar": 7.4303441711172225,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.6018927499999995,
"spacegroup": 194
},
{
"id": "jvasp-9117",
"created_at": "2022-09-04T14:37:16.217759Z",
"updated_at": "2022-09-04T14:37:16.217778Z",
"structure_string": "Fe4 S8\n1.0\n5.421639 0.000000 -0.000000\n-0.000000 5.421639 0.000000\n-0.000000 -0.000000 5.421639\nFe S\n4 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.382644 0.117356 0.882644 S\n0.117356 0.882644 0.382644 S\n0.882644 0.382644 0.117356 S\n0.617356 0.617356 0.617356 S\n0.382644 0.382644 0.382644 S\n0.117356 0.617356 0.882644 S\n0.882644 0.117356 0.617356 S\n0.617356 0.882644 0.117356 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.000438120248708,
"density_atomic": 0.07529904288113537,
"volume": 159.36457544278232,
"volume_molar": 7.997632545617287,
"formula_full": "Fe4 S8",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9303185,
"spacegroup": 205
},
{
"id": "jvasp-42474",
"created_at": "2022-09-04T14:36:50.119970Z",
"updated_at": "2022-09-04T14:36:50.119981Z",
"structure_string": "Fe2 S2\n1.0\n1.668940 -2.890688 -0.000000\n1.668940 2.890688 -0.000000\n-0.000000 0.000000 5.113911\nFe S\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.249989 S\n0.666667 0.333333 0.750011 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.916873287541,
"density_atomic": 0.08106527996580502,
"volume": 49.342949308104295,
"volume_molar": 7.428754656173717,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.6017227499999995,
"spacegroup": 194
},
{
"id": "jvasp-16915",
"created_at": "2022-09-04T14:36:55.224493Z",
"updated_at": "2022-09-04T14:36:55.224507Z",
"structure_string": "Fe2 S4\n1.0\n4.512998 -0.000000 -2.052559\n-0.933525 4.415390 -2.052560\n-0.020567 -0.025370 5.942462\nFe S\n2 4\ndirect\n0.249999 0.750000 0.499999 Fe\n0.000000 0.000000 0.000000 Fe\n0.889957 0.875000 0.250000 S\n0.625000 0.110042 0.750000 S\n0.360041 0.375000 0.250000 S\n0.124999 0.639958 0.749999 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 3.3782866043968114,
"density_atomic": 0.05087189197665513,
"volume": 117.94332325507712,
"volume_molar": 11.837854905737595,
"formula_full": "Fe2 S4",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0467718333333336,
"spacegroup": 122
},
{
"id": "jvasp-39524",
"created_at": "2022-09-04T14:37:42.707930Z",
"updated_at": "2022-09-04T14:37:42.707960Z",
"structure_string": "Fe4 Sb12\n1.0\n-4.598236 -4.598236 4.598236\n-4.598236 4.598236 -4.598236\n4.598236 -4.598236 -4.598236\nFe Sb\n4 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.669400 0.840615 0.510013 Sb\n0.840615 0.510013 0.669400 Sb\n0.510013 0.669400 0.840615 Sb\n0.669400 0.159386 0.828787 Sb\n0.840615 0.171214 0.330601 Sb\n0.159386 0.828787 0.669400 Sb\n0.171214 0.330601 0.840615 Sb\n0.159386 0.489988 0.330601 Sb\n0.330601 0.159386 0.489988 Sb\n0.489988 0.330601 0.159386 Sb\n0.330601 0.840615 0.171214 Sb\n0.828787 0.669400 0.159386 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 7.192607304184772,
"density_atomic": 0.04114207765596774,
"volume": 388.89625686366304,
"volume_molar": 14.637424999188095,
"formula_full": "Fe4 Sb12",
"formula_reduced": "FeSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.06092345,
"spacegroup": 204
},
{
"id": "jvasp-107443",
"created_at": "2022-09-04T14:37:16.955128Z",
"updated_at": "2022-09-04T14:37:16.955158Z",
"structure_string": "Fe6 Sb2\n1.0\n5.527264 -0.000000 0.000000\n-2.763632 4.786751 0.000000\n0.000000 0.000000 4.293705\nFe Sb\n6 2\ndirect\n0.149102 0.298203 0.250000 Fe\n0.701796 0.850898 0.250000 Fe\n0.149102 0.850898 0.250000 Fe\n0.850898 0.701797 0.750001 Fe\n0.298203 0.149102 0.750001 Fe\n0.850898 0.149102 0.750001 Fe\n0.333333 0.666667 0.750001 Sb\n0.666666 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 8.457398080974004,
"density_atomic": 0.07042173798313862,
"volume": 113.60128603919821,
"volume_molar": 8.55153668806343,
"formula_full": "Fe6 Sb2",
"formula_reduced": "Fe3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.00473065,
"spacegroup": 194
},
{
"id": "jvasp-17803",
"created_at": "2022-09-04T14:38:13.738378Z",
"updated_at": "2022-09-04T14:38:13.738396Z",
"structure_string": "Fe2 Sb4\n1.0\n3.309617 0.000000 0.000000\n0.000000 5.766519 0.000000\n0.000000 -0.000000 6.535760\nFe Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.197728 0.355339 Sb\n0.000000 0.802272 0.644661 Sb\n0.500000 0.302272 0.855339 Sb\n0.500000 0.697728 0.144661 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 7.970628264293702,
"density_atomic": 0.04810206139976185,
"volume": 124.73477903859035,
"volume_molar": 12.519506617298143,
"formula_full": "Fe2 Sb4",
"formula_reduced": "FeSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9627892333333332,
"spacegroup": 58
},
{
"id": "jvasp-94294",
"created_at": "2022-09-04T14:36:20.995925Z",
"updated_at": "2022-09-04T14:36:20.995942Z",
"structure_string": "Fe2 Sb4\n1.0\n0.000000 0.000000 3.310430\n5.766032 0.000000 0.000000\n0.000000 6.536276 0.000000\nFe Sb\n2 4\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.697757 0.144652 Sb\n0.500000 0.302243 0.855349 Sb\n0.000000 0.197757 0.355349 Sb\n0.000000 0.802243 0.644652 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 7.968714681246822,
"density_atomic": 0.048090513089369936,
"volume": 124.76473247124197,
"volume_molar": 12.522513013759363,
"formula_full": "Fe2 Sb4",
"formula_reduced": "FeSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9627692333333333,
"spacegroup": 58
},
{
"id": "jvasp-14984",
"created_at": "2022-09-04T14:36:39.817088Z",
"updated_at": "2022-09-04T14:36:39.817106Z",
"structure_string": "Fe2 Sb2\n1.0\n2.009059 -3.479794 0.000000\n2.009059 3.479794 -0.000000\n0.000000 -0.000000 5.039591\nFe Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 8.370719093456875,
"density_atomic": 0.056766024223008804,
"volume": 70.46468472559845,
"volume_molar": 10.608706250664394,
"formula_full": "Fe2 Sb2",
"formula_reduced": "FeSb",
"formula_anonymous": "AB",
"energy_above_hull": 1.6966858000000002,
"spacegroup": 194
},
{
"id": "jvasp-93737",
"created_at": "2022-09-04T14:36:14.232972Z",
"updated_at": "2022-09-04T14:36:14.232996Z",
"structure_string": "Fe2 Sb4\n1.0\n-0.000000 0.000000 -5.644291\n-3.296598 3.296598 -2.822146\n3.296598 3.296598 -2.822146\nFe Sb\n2 4\ndirect\n0.750000 -0.000000 -0.000000 Fe\n0.250000 -0.000000 -0.000000 Fe\n0.337251 0.500000 0.825499 Sb\n0.662750 0.500000 0.174501 Sb\n0.837250 0.825499 0.500000 Sb\n0.162750 0.174501 0.500000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb",
"density": 8.104173745205348,
"density_atomic": 0.04890799698093173,
"volume": 122.67932384021539,
"volume_molar": 12.31320260845668,
"formula_full": "Fe2 Sb4",
"formula_reduced": "FeSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.039279233333333,
"spacegroup": 140
},
{
"id": "jvasp-90406",
"created_at": "2022-09-04T14:36:10.161531Z",
"updated_at": "2022-09-04T14:36:10.161558Z",
"structure_string": "Fe4 Se4\n1.0\n0.000000 0.000000 -3.812893\n0.000000 -5.058501 0.000000\n-6.604588 0.000000 0.000000\nFe Se\n4 4\ndirect\n0.749999 0.499941 0.749911 Fe\n0.749999 -0.000059 0.750089 Fe\n0.250000 0.500059 0.250089 Fe\n0.250000 0.000059 0.249911 Fe\n0.749999 0.250109 0.083331 Se\n0.749999 0.750109 0.416669 Se\n0.250000 0.749891 0.916670 Se\n0.250000 0.249891 0.583331 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 7.028989592109553,
"density_atomic": 0.06280117909407945,
"volume": 127.38614330816276,
"volume_molar": 9.589216073441102,
"formula_full": "Fe4 Se4",
"formula_reduced": "FeSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.559344433333333,
"spacegroup": 194
}
]
}