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_full&page=3455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3453",
"results": [
{
"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-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-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-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-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-41866",
"created_at": "2022-09-04T14:37:39.255393Z",
"updated_at": "2022-09-04T14:37:39.255402Z",
"structure_string": "Sc2 Ga1 Ag1\n1.0\n-0.000000 3.385126 3.385126\n3.385126 0.000000 3.385126\n3.385126 3.385126 0.000000\nSc Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.750001 0.750001 0.750001 Ga\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Sc",
"density": 5.725630032956459,
"density_atomic": 0.05155911809066199,
"volume": 77.58084599054557,
"volume_molar": 11.680069370873676,
"formula_full": "Sc2 Ga1 Ag1",
"formula_reduced": "Sc2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.00016752125,
"spacegroup": 225
},
{
"id": "jvasp-39116",
"created_at": "2022-09-04T14:37:57.369525Z",
"updated_at": "2022-09-04T14:37:57.369540Z",
"structure_string": "Sc2 Ga1 Au1\n1.0\n0.000000 3.379012 3.379012\n3.379012 0.000000 3.379012\n3.379012 3.379012 0.000000\nSc Ga Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750001 0.750001 0.750001 Ga\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Sc",
"density": 7.67419684618815,
"density_atomic": 0.05183949872418369,
"volume": 77.16123995107145,
"volume_molar": 11.616896205037195,
"formula_full": "Sc2 Ga1 Au1",
"formula_reduced": "Sc2GaAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.11475009875,
"spacegroup": 225
},
{
"id": "jvasp-41867",
"created_at": "2022-09-04T14:37:37.332182Z",
"updated_at": "2022-09-04T14:37:37.332208Z",
"structure_string": "Sc2 Ga1 Cu1\n1.0\n0.000000 3.298092 3.298092\n3.298092 0.000000 3.298092\n3.298092 3.298092 0.000000\nSc Ga Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.749999 0.749999 0.749999 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Sc",
"density": 5.1652063972452495,
"density_atomic": 0.05574959251770269,
"volume": 71.74940334729519,
"volume_molar": 10.80212516008567,
"formula_full": "Sc2 Ga1 Cu1",
"formula_reduced": "Sc2GaCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.96040581875,
"spacegroup": 225
},
{
"id": "jvasp-80458",
"created_at": "2022-09-04T14:37:10.727116Z",
"updated_at": "2022-09-04T14:37:10.727141Z",
"structure_string": "Sc2 Ga1 Hg1\n1.0\n-10.000638 -0.000000 -5.773870\n-6.549508 0.238653 -0.203660\n-5.629217 2.841629 -1.797651\nSc Ga Hg\n2 1 1\ndirect\n0.754330 0.000000 -0.000000 Sc\n0.245670 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Sc",
"density": 6.091003311214017,
"density_atomic": 0.040731095558736975,
"volume": 98.20506777755907,
"volume_molar": 14.785118537545026,
"formula_full": "Sc2 Ga1 Hg1",
"formula_reduced": "Sc2GaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8427893562499998,
"spacegroup": 71
},
{
"id": "jvasp-39117",
"created_at": "2022-09-04T14:37:55.279208Z",
"updated_at": "2022-09-04T14:37:55.279229Z",
"structure_string": "Sc2 Ga1 Ir1\n1.0\n-0.000000 3.280217 3.280217\n3.280217 -0.000000 3.280217\n3.280217 3.280217 -0.000000\nSc Ga Ir\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Sc\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750001 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Sc",
"density": 8.276966232377674,
"density_atomic": 0.05666596258357963,
"volume": 70.58911236353195,
"volume_molar": 10.627439269416143,
"formula_full": "Sc2 Ga1 Ir1",
"formula_reduced": "Sc2GaIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1297409812500003,
"spacegroup": 225
},
{
"id": "jvasp-41850",
"created_at": "2022-09-04T14:37:35.858960Z",
"updated_at": "2022-09-04T14:37:35.858991Z",
"structure_string": "Sc2 Ga1 Os1\n1.0\n-0.000000 3.266847 3.266847\n3.266847 -0.000000 3.266847\n3.266847 3.266847 -0.000000\nSc Ga Os\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.249999 0.249999 0.249999 Ga\n0.750001 0.750001 0.750001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Os"
],
"chemical_system": "Ga-Os-Sc",
"density": 8.331687961192035,
"density_atomic": 0.05736455253133435,
"volume": 69.72947270555404,
"volume_molar": 10.498017493835613,
"formula_full": "Sc2 Ga1 Os1",
"formula_reduced": "Sc2GaOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5292794562500003,
"spacegroup": 225
},
{
"id": "jvasp-100503",
"created_at": "2022-09-04T14:36:39.675047Z",
"updated_at": "2022-09-04T14:36:39.675066Z",
"structure_string": "Sc2 Ga1 Pd1\n1.0\n4.076658 -0.000000 2.353660\n1.358886 3.843511 2.353660\n0.000000 0.000000 4.707320\nSc Ga Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750001 0.750000 0.750000 Sc\n0.500001 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sc",
"density": 5.989824605783749,
"density_atomic": 0.05423178031337903,
"volume": 73.75749010793946,
"volume_molar": 11.104449688357976,
"formula_full": "Sc2 Ga1 Pd1",
"formula_reduced": "Sc2GaPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.41380463125,
"spacegroup": 225
}
]
}