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=formula_reduced&page=3457",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3455",
"results": [
{
"id": "jvasp-102438",
"created_at": "2022-09-04T14:36:37.860659Z",
"updated_at": "2022-09-04T14:36:37.860683Z",
"structure_string": "Sc1 F3\n1.0\n3.631746 0.586014 0.935863\n-0.814412 3.587440 0.935863\n-0.007797 -0.011550 3.928404\nSc F\n1 3\ndirect\n0.991844 0.008155 -0.000001 Sc\n0.866693 0.476015 0.158345 F\n0.523984 0.133307 0.841653 F\n0.117482 0.882518 0.499999 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 3.1866051693584128,
"density_atomic": 0.07529170677824781,
"volume": 53.126701082510486,
"volume_molar": 7.998411800833064,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0284725000000001,
"spacegroup": 5
},
{
"id": "jvasp-21618",
"created_at": "2022-09-04T14:37:58.812730Z",
"updated_at": "2022-09-04T14:37:58.812755Z",
"structure_string": "Sc1 F3\n1.0\n4.051229 -0.000000 0.000000\n0.000000 4.051229 0.000000\n-0.000000 -0.000000 4.051229\nSc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 2.5461308963799296,
"density_atomic": 0.060158862074485404,
"volume": 66.49061937121449,
"volume_molar": 10.010396726825908,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0020299999999999,
"spacegroup": 221
},
{
"id": "jvasp-122058",
"created_at": "2022-09-04T14:38:52.520216Z",
"updated_at": "2022-09-04T14:38:52.520250Z",
"structure_string": "Sc8 Fe16\n1.0\n4.875802 -0.000000 0.000000\n-2.437901 4.222569 0.000000\n-0.000000 -0.000000 15.950351\nSc Fe\n8 16\ndirect\n0.000000 0.000000 0.406567 Sc\n0.000000 0.000000 0.593433 Sc\n0.000000 0.000000 0.906567 Sc\n0.000000 0.000000 0.093433 Sc\n0.333333 0.666667 0.655999 Sc\n0.666667 0.333333 0.344001 Sc\n0.666667 0.333333 0.155999 Sc\n0.333333 0.666667 0.844001 Sc\n0.835437 0.164562 0.750000 Fe\n0.670875 0.835438 0.250000 Fe\n0.164562 0.329125 0.250000 Fe\n0.164563 0.835438 0.250000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.333333 0.666667 0.125066 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.835438 0.670876 0.750000 Fe\n0.666667 0.333333 0.874934 Fe\n0.666667 0.333333 0.625066 Fe\n0.333333 0.666667 0.374934 Fe\n0.000000 0.500000 0.500000 Fe\n0.329125 0.164562 0.750000 Fe\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 6.336728344820073,
"density_atomic": 0.07308330535349522,
"volume": 328.39237201868286,
"volume_molar": 8.240104536694973,
"formula_full": "Sc8 Fe16",
"formula_reduced": "ScFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.690562083333334,
"spacegroup": 194
},
{
"id": "jvasp-14768",
"created_at": "2022-09-04T14:38:10.937669Z",
"updated_at": "2022-09-04T14:38:10.937692Z",
"structure_string": "Sc2 Fe4\n1.0\n4.235114 -0.000000 2.445144\n1.411705 3.992903 2.445144\n-0.000000 -0.000000 4.890287\nSc Fe\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874998 0.874999 0.875000 Sc\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.499999 0.500000 -0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 6.290858923902752,
"density_atomic": 0.07255428016685787,
"volume": 82.69670633078302,
"volume_molar": 8.300186765205975,
"formula_full": "Sc2 Fe4",
"formula_reduced": "ScFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6916487500000006,
"spacegroup": 227
},
{
"id": "jvasp-26957",
"created_at": "2022-09-04T14:38:29.095091Z",
"updated_at": "2022-09-04T14:38:29.095118Z",
"structure_string": "Sc2 Fe8 P4\n1.0\n6.887199 0.000000 0.000000\n-0.000000 6.887199 0.000000\n0.000000 0.000000 3.565954\nSc Fe P\n2 8 4\ndirect\n0.000000 0.000000 0.499999 Sc\n0.500000 0.500000 0.000000 Sc\n0.580078 0.158110 0.499999 Fe\n0.841890 0.419922 0.499999 Fe\n0.080078 0.341890 0.000000 Fe\n0.919922 0.658110 0.000000 Fe\n0.419922 0.841890 0.499999 Fe\n0.158110 0.580078 0.499999 Fe\n0.341890 0.080078 0.000000 Fe\n0.658110 0.919922 0.000000 Fe\n0.720232 0.720232 0.499999 P\n0.220232 0.779768 0.000000 P\n0.279768 0.279768 0.499999 P\n0.779768 0.220232 0.000000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"P"
],
"chemical_system": "Fe-P-Sc",
"density": 6.484923944812844,
"density_atomic": 0.08276887182116315,
"volume": 169.14571495247014,
"volume_molar": 7.275852174247229,
"formula_full": "Sc2 Fe8 P4",
"formula_reduced": "Sc(Fe2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.530232607142856,
"spacegroup": 136
},
{
"id": "jvasp-106600",
"created_at": "2022-09-04T14:36:46.229380Z",
"updated_at": "2022-09-04T14:36:46.229400Z",
"structure_string": "Sc2 Fe6\n1.0\n5.531605 -0.000000 0.000000\n-2.765803 4.790510 0.000000\n0.000000 0.000000 4.178448\nSc Fe\n2 6\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666666 0.333333 0.250000 Sc\n0.147006 0.294011 0.250000 Fe\n0.705988 0.852994 0.250000 Fe\n0.147006 0.852994 0.250000 Fe\n0.852994 0.705989 0.750000 Fe\n0.294011 0.147006 0.750000 Fe\n0.852994 0.147006 0.750000 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 6.373405344517017,
"density_atomic": 0.07225070240835828,
"volume": 110.72556713406463,
"volume_molar": 8.335061887652087,
"formula_full": "Sc2 Fe6",
"formula_reduced": "ScFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.218930437499999,
"spacegroup": 194
},
{
"id": "jvasp-90840",
"created_at": "2022-09-04T14:35:55.321636Z",
"updated_at": "2022-09-04T14:35:55.321660Z",
"structure_string": "Sc2 Fe2 C4\n1.0\n3.345130 0.000000 0.000000\n0.000000 3.345130 0.000000\n-0.000000 0.000000 7.321494\nSc Fe C\n2 2 4\ndirect\n0.750000 0.750000 0.651669 Sc\n0.250000 0.250000 0.348330 Sc\n0.750000 0.250000 0.000000 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.750000 0.157950 C\n0.250000 0.250000 0.842050 C\n0.750000 0.750000 0.350478 C\n0.250000 0.250000 0.649521 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"C"
],
"chemical_system": "C-Fe-Sc",
"density": 5.0599427652701685,
"density_atomic": 0.09764820757536027,
"volume": 81.92674703041506,
"volume_molar": 6.167180032825893,
"formula_full": "Sc2 Fe2 C4",
"formula_reduced": "ScFeC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4278326875,
"spacegroup": 129
},
{
"id": "jvasp-16161",
"created_at": "2022-09-04T14:36:47.009812Z",
"updated_at": "2022-09-04T14:36:47.009829Z",
"structure_string": "Sc3 Fe3 Ge3\n1.0\n3.239452 -5.610896 0.000000\n3.239452 5.610896 0.000000\n-0.000000 0.000000 3.902689\nSc Fe Ge\n3 3 3\ndirect\n-0.000000 0.420988 0.500000 Sc\n0.579012 0.579012 0.500000 Sc\n0.420988 -0.000000 0.500000 Sc\n-0.000001 0.771024 0.000000 Fe\n0.228975 0.228975 0.000000 Fe\n0.771024 -0.000001 0.000000 Fe\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Sc",
"density": 6.090096755600838,
"density_atomic": 0.06343731619144473,
"volume": 141.87233225376826,
"volume_molar": 9.493057275352006,
"formula_full": "Sc3 Fe3 Ge3",
"formula_reduced": "ScFeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8324655666666665,
"spacegroup": 189
},
{
"id": "jvasp-106891",
"created_at": "2022-09-04T14:36:48.875460Z",
"updated_at": "2022-09-04T14:36:48.875485Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n3.289510 0.000000 0.000000\n-1.644755 2.848799 0.000000\n-0.000000 -0.000000 11.552156\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333332 0.666667 0.750000 Fe\n0.666666 0.333333 0.250000 Fe\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333332 0.666667 0.584830 O\n0.333332 0.666667 0.915171 O\n0.666666 0.333333 0.415170 O\n0.666666 0.333333 0.084830 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.564816965586263,
"density_atomic": 0.09237276335323999,
"volume": 108.25701902799304,
"volume_molar": 6.519390068445725,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31395625,
"spacegroup": 194
},
{
"id": "jvasp-46422",
"created_at": "2022-09-04T14:38:09.635068Z",
"updated_at": "2022-09-04T14:38:09.635086Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n1.646924 -2.852556 -0.000000\n1.646924 2.852556 0.000000\n-0.000000 -0.000000 11.559260\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.250008 Sc\n0.000000 0.000000 0.749992 Sc\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333332 0.666666 0.834795 O\n0.333332 0.666666 0.165205 O\n0.666666 0.333332 0.665202 O\n0.666666 0.333332 0.334798 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.550002833745089,
"density_atomic": 0.09207298741366454,
"volume": 108.60948776509342,
"volume_molar": 6.5406162319289045,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31590225,
"spacegroup": 194
},
{
"id": "jvasp-13775",
"created_at": "2022-09-04T14:37:27.697859Z",
"updated_at": "2022-09-04T14:37:27.697890Z",
"structure_string": "Sc4 Fe4 Si4\n1.0\n4.070571 -0.000000 0.000000\n0.000000 6.544054 0.000000\n0.000000 0.000000 6.627483\nSc Fe Si\n4 4 4\ndirect\n0.750000 0.515067 0.808849 Sc\n0.250000 0.984932 0.308850 Sc\n0.750000 0.015067 0.691150 Sc\n0.250000 0.484933 0.191150 Sc\n0.250000 0.653234 0.562018 Fe\n0.250000 0.153235 0.937981 Fe\n0.750000 0.846765 0.062018 Fe\n0.750000 0.346765 0.437981 Fe\n0.250000 0.799202 0.892016 Si\n0.250000 0.299202 0.607983 Si\n0.750000 0.200797 0.107983 Si\n0.750000 0.700797 0.392017 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Si"
],
"chemical_system": "Fe-Sc-Si",
"density": 4.849147466345899,
"density_atomic": 0.06797205733004041,
"volume": 176.54313362524294,
"volume_molar": 8.859730007522518,
"formula_full": "Sc4 Fe4 Si4",
"formula_reduced": "ScFeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.48166645,
"spacegroup": 62
},
{
"id": "jvasp-26873",
"created_at": "2022-09-04T14:38:30.146329Z",
"updated_at": "2022-09-04T14:38:30.146346Z",
"structure_string": "Sc4 Fe8 Si8\n1.0\n5.004077 0.000000 0.000000\n-0.000000 7.054602 0.000000\n0.000000 0.000000 7.459984\nSc Fe Si\n4 8 8\ndirect\n0.750001 0.908614 0.247758 Sc\n0.250000 0.091386 0.752241 Sc\n0.750001 0.408614 0.752241 Sc\n0.250000 0.591386 0.247758 Sc\n0.500000 0.750000 0.616805 Fe\n0.000000 0.250000 0.383195 Fe\n0.000000 0.750000 0.616805 Fe\n0.500000 0.250000 0.383195 Fe\n0.750001 0.011937 0.884286 Fe\n0.250000 0.488063 0.884286 Fe\n0.750001 0.511937 0.115714 Fe\n0.250000 0.988063 0.115714 Fe\n0.000000 0.250000 0.049262 Si\n0.750001 0.551109 0.415839 Si\n0.250000 0.448891 0.584161 Si\n0.750001 0.051109 0.584161 Si\n0.250000 0.948891 0.415839 Si\n0.000000 0.750000 0.950737 Si\n0.500000 0.250000 0.049262 Si\n0.500000 0.750000 0.950737 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Si"
],
"chemical_system": "Fe-Sc-Si",
"density": 5.367608464695409,
"density_atomic": 0.0759443726214153,
"volume": 263.35065139981504,
"volume_molar": 7.929673459836885,
"formula_full": "Sc4 Fe8 Si8",
"formula_reduced": "Sc(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.22191069,
"spacegroup": 57
}
]
}