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=3455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3453",
"results": [
{
"id": "jvasp-46323",
"created_at": "2022-09-04T14:38:07.037765Z",
"updated_at": "2022-09-04T14:38:07.037793Z",
"structure_string": "Sc2 Cr2 O8\n1.0\n2.841546 4.189039 -0.000000\n-2.841546 4.189039 -0.000000\n0.000000 0.000000 6.568383\nSc Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.362999 0.362999 0.250000 Cr\n0.637002 0.637002 0.750000 Cr\n0.263098 0.782303 0.750000 O\n0.217696 0.736902 0.250000 O\n0.247378 0.247378 0.043083 O\n0.247378 0.247378 0.456917 O\n0.752623 0.752623 0.543082 O\n0.752623 0.752623 0.956917 O\n0.736902 0.217696 0.250000 O\n0.782303 0.263098 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sc",
"density": 3.41831018106706,
"density_atomic": 0.07674033440543186,
"volume": 156.37148434357894,
"volume_molar": 7.84742574639307,
"formula_full": "Sc2 Cr2 O8",
"formula_reduced": "ScCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7050811083333333,
"spacegroup": 63
},
{
"id": "jvasp-20105",
"created_at": "2022-09-04T14:36:37.999650Z",
"updated_at": "2022-09-04T14:36:37.999680Z",
"structure_string": "Sc1 Cu1\n1.0\n3.242516 0.000000 0.000000\n-0.000000 3.242516 0.000000\n0.000000 0.000000 3.242516\nSc Cu\n1 1\ndirect\n0.500001 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 5.284940539906165,
"density_atomic": 0.05866561291665336,
"volume": 34.09152143081525,
"volume_molar": 10.265197038946301,
"formula_full": "Sc1 Cu1",
"formula_reduced": "ScCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5620178499999999,
"spacegroup": 221
},
{
"id": "jvasp-35783",
"created_at": "2022-09-04T14:37:20.157455Z",
"updated_at": "2022-09-04T14:37:20.157481Z",
"structure_string": "Sc1 Cu2\n1.0\n3.313647 -0.000000 0.000000\n-0.000000 3.313647 0.000000\n-1.656824 -1.656824 4.148924\nSc Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.672063 0.672063 0.344123 Cu\n0.327939 0.327939 0.655876 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.271198408789268,
"density_atomic": 0.06585265544751534,
"volume": 45.55624947259726,
"volume_molar": 9.144871560721883,
"formula_full": "Sc1 Cu2",
"formula_reduced": "ScCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4188653833333334,
"spacegroup": 139
},
{
"id": "jvasp-75602",
"created_at": "2022-09-04T14:36:09.289023Z",
"updated_at": "2022-09-04T14:36:09.289045Z",
"structure_string": "Sc1 Cu2 As1\n1.0\n-0.000000 3.157785 3.157785\n3.157785 -0.000000 3.157785\n3.157785 3.157785 0.000000\nSc Cu As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"As"
],
"chemical_system": "As-Cu-Sc",
"density": 6.512005715996193,
"density_atomic": 0.06351588055971208,
"volume": 62.97637637629143,
"volume_molar": 9.481315077319143,
"formula_full": "Sc1 Cu2 As1",
"formula_reduced": "ScCu2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9420069750000002,
"spacegroup": 216
},
{
"id": "jvasp-79730",
"created_at": "2022-09-04T14:37:17.200433Z",
"updated_at": "2022-09-04T14:37:17.200443Z",
"structure_string": "Sc1 Cu2 Hg1\n1.0\n-9.034909 0.000147 -5.216428\n-8.378436 0.078034 4.079375\n-5.841297 7.254564 -0.315421\nSc Cu Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.753929 0.999999 0.000001 Cu\n0.246072 0.000001 0.999999 Cu\n0.500000 -0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Sc",
"density": 1.0626751173481712,
"density_atomic": 0.006869487977414131,
"volume": 582.2850281056483,
"volume_molar": 87.66506004231927,
"formula_full": "Sc1 Cu2 Hg1",
"formula_reduced": "ScCu2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4470151874999999,
"spacegroup": 71
},
{
"id": "jvasp-39164",
"created_at": "2022-09-04T14:37:44.408204Z",
"updated_at": "2022-09-04T14:37:44.408235Z",
"structure_string": "Sc1 Cu3\n1.0\n0.000022 3.064398 3.064411\n3.064412 0.000023 3.064411\n3.064414 3.064400 0.000019\nSc Cu\n1 3\ndirect\n0.750000 0.750001 0.749999 Sc\n0.250002 0.250000 0.250000 Cu\n0.000001 1.000000 -0.000001 Cu\n0.500000 0.499999 0.500000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.797482214613862,
"density_atomic": 0.06950161721351715,
"volume": 57.55261762775288,
"volume_molar": 8.664749111519628,
"formula_full": "Sc1 Cu3",
"formula_reduced": "ScCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2852941499999999,
"spacegroup": 225
},
{
"id": "jvasp-39162",
"created_at": "2022-09-04T14:37:46.038606Z",
"updated_at": "2022-09-04T14:37:46.038626Z",
"structure_string": "Sc1 Cu3\n1.0\n-1.975477 1.975477 3.672374\n1.975477 -1.975477 3.672374\n1.975477 1.975477 -3.672374\nSc Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.250000 0.500001 Cu\n0.250000 0.750001 0.500001 Cu\n0.499998 0.499998 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.824365998078529,
"density_atomic": 0.06977649346454952,
"volume": 57.32589589117473,
"volume_molar": 8.630615356243997,
"formula_full": "Sc1 Cu3",
"formula_reduced": "ScCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28217165,
"spacegroup": 139
},
{
"id": "jvasp-93759",
"created_at": "2022-09-04T14:36:21.258766Z",
"updated_at": "2022-09-04T14:36:21.258789Z",
"structure_string": "Sc1 Cu4 Sn1\n1.0\n-3.567700 -3.567700 0.000000\n-3.567700 -0.000000 -3.567700\n-0.000000 -3.567700 -3.567700\nSc Cu Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.876969 0.374344 0.374344 Cu\n0.374344 0.876969 0.374344 Cu\n0.374344 0.374344 0.876969 Cu\n0.374344 0.374344 0.374344 Cu\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sc-Sn",
"density": 7.6396670505476605,
"density_atomic": 0.06606269241549748,
"volume": 90.82281966746599,
"volume_molar": 9.115796737626276,
"formula_full": "Sc1 Cu4 Sn1",
"formula_reduced": "ScCu4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2121547916666669,
"spacegroup": 216
},
{
"id": "jvasp-110919",
"created_at": "2022-09-04T14:38:37.084693Z",
"updated_at": "2022-09-04T14:38:37.084725Z",
"structure_string": "Sc3 Cu3 Ge3\n1.0\n6.718634 0.000000 0.000000\n-3.359317 5.818508 0.000000\n0.000000 0.000000 3.790207\nSc Cu Ge\n3 3 3\ndirect\n0.605005 -0.000000 -0.000000 Sc\n-0.000000 0.605006 -0.000000 Sc\n0.394994 0.394995 -0.000000 Sc\n0.333333 0.666667 0.500000 Cu\n0.666666 0.333333 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.270683 -0.000000 0.500000 Ge\n-0.000000 0.270684 0.500000 Ge\n0.729316 0.729317 0.500000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sc",
"density": 6.0902307983651385,
"density_atomic": 0.0607417025740292,
"volume": 148.16838545200824,
"volume_molar": 9.914343037488107,
"formula_full": "Sc3 Cu3 Ge3",
"formula_reduced": "ScCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7095305499999999,
"spacegroup": 189
},
{
"id": "jvasp-89898",
"created_at": "2022-09-04T14:36:07.723304Z",
"updated_at": "2022-09-04T14:36:07.723332Z",
"structure_string": "Sc3 Cu3 Ge3\n1.0\n0.000000 0.000000 -3.964077\n-3.275622 -5.673544 0.000000\n-3.275404 5.673418 0.000000\nSc Cu Ge\n3 3 3\ndirect\n0.000000 0.574320 0.000000 Sc\n0.000000 0.425697 0.425685 Sc\n0.000000 0.000012 0.574314 Sc\n0.500000 0.245224 0.000000 Cu\n0.500000 0.754797 0.754784 Cu\n0.500000 0.000013 0.245215 Cu\n0.500000 0.666676 0.333335 Ge\n0.500000 0.333340 0.666665 Ge\n0.000000 0.000017 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sc",
"density": 6.1247489254266485,
"density_atomic": 0.06108597356749395,
"volume": 147.33333160444585,
"volume_molar": 9.858467350685885,
"formula_full": "Sc3 Cu3 Ge3",
"formula_reduced": "ScCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6583905499999999,
"spacegroup": 189
},
{
"id": "jvasp-77354",
"created_at": "2022-09-04T14:38:10.483471Z",
"updated_at": "2022-09-04T14:38:10.483497Z",
"structure_string": "Sc1 Cu1 Hg2\n1.0\n-9.626031 -0.000000 -5.557592\n-9.993246 0.558344 6.193626\n-6.802965 9.581822 0.667897\nSc Cu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 -0.000000 Cu\n0.730943 0.000000 -0.000000 Hg\n0.269057 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Sc",
"density": 0.7845785446984374,
"density_atomic": 0.003708071504081743,
"volume": 1078.7278496644171,
"volume_molar": 162.40627381028096,
"formula_full": "Sc1 Cu1 Hg2",
"formula_reduced": "ScCuHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1011987249999999,
"spacegroup": 71
},
{
"id": "jvasp-118226",
"created_at": "2022-09-04T14:38:53.472289Z",
"updated_at": "2022-09-04T14:38:53.472313Z",
"structure_string": "Sc1 Cu1 O1\n1.0\n4.083684 -0.000000 0.000000\n-2.041842 3.536574 -0.000000\n0.000000 0.000000 3.065167\nSc Cu O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 Cu\n0.333332 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sc",
"density": 4.6701841545587595,
"density_atomic": 0.06776918069006455,
"volume": 44.267910124518025,
"volume_molar": 8.886252864029222,
"formula_full": "Sc1 Cu1 O1",
"formula_reduced": "ScCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1812230666666663,
"spacegroup": 187
}
]
}