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=3423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3421",
"results": [
{
"id": "jvasp-7764",
"created_at": "2022-09-04T14:36:30.737467Z",
"updated_at": "2022-09-04T14:36:30.737494Z",
"structure_string": "Sc2 O3\n1.0\n1.691146 -2.929151 -0.000000\n1.691146 2.929151 0.000000\n0.000000 0.000000 5.617141\nSc O\n2 3\ndirect\n0.666668 0.333334 0.248414 Sc\n0.333334 0.666668 0.751586 Sc\n0.666668 0.333334 0.647469 O\n0.333334 0.666668 0.352531 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.115065450447697,
"density_atomic": 0.08984663575931506,
"volume": 55.650386436217936,
"volume_molar": 6.702689209345984,
"formula_full": "Sc2 O3",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.9099602,
"spacegroup": 164
},
{
"id": "jvasp-50097",
"created_at": "2022-09-04T14:36:48.151462Z",
"updated_at": "2022-09-04T14:36:48.151489Z",
"structure_string": "Sc4 O6\n1.0\n5.357707 -0.000000 0.000000\n-2.678854 1.546637 4.761942\n2.678854 -4.639910 0.000000\nSc O\n4 6\ndirect\n0.143969 0.431905 0.143968 Sc\n0.356031 0.068094 0.356031 Sc\n0.643969 0.931905 0.643968 Sc\n0.856031 0.568094 0.856031 Sc\n0.250000 0.750000 0.549464 O\n0.049465 0.250000 0.750000 O\n0.450536 0.250000 0.049465 O\n0.549465 0.750000 0.950535 O\n0.950536 0.750000 0.249999 O\n0.750000 0.250000 0.450535 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.869031892864898,
"density_atomic": 0.08447484089993919,
"volume": 118.37844136155336,
"volume_molar": 7.128916368286804,
"formula_full": "Sc4 O6",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8927842,
"spacegroup": 167
},
{
"id": "jvasp-120172",
"created_at": "2022-09-04T14:38:53.160510Z",
"updated_at": "2022-09-04T14:38:53.160542Z",
"structure_string": "Sc2 O3 F1\n1.0\n3.229463 0.000000 0.000000\n0.000000 3.392239 3.482507\n0.000000 -3.392239 3.482507\nSc O F\n2 3 1\ndirect\n0.000000 0.013559 0.013559 Sc\n0.499999 0.491719 0.491719 Sc\n0.499999 0.195315 0.195315 O\n0.000000 0.300423 0.696089 O\n0.000000 0.696089 0.300423 O\n0.499999 0.802897 0.802897 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 3.414731940907788,
"density_atomic": 0.07863438610614477,
"volume": 76.30249687332574,
"volume_molar": 7.658406275177126,
"formula_full": "Sc2 O3 F1",
"formula_reduced": "Sc2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7141668804166663,
"spacegroup": 38
},
{
"id": "jvasp-39135",
"created_at": "2022-09-04T14:37:47.849954Z",
"updated_at": "2022-09-04T14:37:47.849980Z",
"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.291862 3.291862\n3.291862 -0.000000 3.291862\n3.291862 3.291862 -0.000000\nSc Os Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Os\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Au"
],
"chemical_system": "Au-Os-Sc",
"density": 11.104814196436434,
"density_atomic": 0.05606671792730084,
"volume": 71.34357329755984,
"volume_molar": 10.741026017982067,
"formula_full": "Sc2 Os1 Au1",
"formula_reduced": "Sc2OsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7245682675,
"spacegroup": 225
},
{
"id": "jvasp-41873",
"created_at": "2022-09-04T14:37:30.683565Z",
"updated_at": "2022-09-04T14:37:30.683583Z",
"structure_string": "Sc2 Os1 Pd1\n1.0\n-0.000004 3.245302 3.245289\n3.245294 -0.000006 3.245292\n3.245286 3.245296 0.000003\nSc Os Pd\n2 1 1\ndirect\n0.000000 0.000001 -0.000000 Sc\n0.499999 0.499999 0.500000 Sc\n0.250000 0.250001 0.250000 Os\n0.750000 0.749999 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Pd"
],
"chemical_system": "Os-Pd-Sc",
"density": 9.390220475716246,
"density_atomic": 0.05851506898077923,
"volume": 68.35845996035486,
"volume_molar": 10.291606700452027,
"formula_full": "Sc2 Os1 Pd1",
"formula_reduced": "Sc2OsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0098053000000005,
"spacegroup": 225
},
{
"id": "jvasp-41872",
"created_at": "2022-09-04T14:37:32.186087Z",
"updated_at": "2022-09-04T14:37:32.186098Z",
"structure_string": "Sc2 Os1 Pt1\n1.0\n-0.000000 3.242664 3.242664\n3.242664 0.000000 3.242664\n3.242664 3.242664 0.000000\nSc Os Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Os\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Pt"
],
"chemical_system": "Os-Pt-Sc",
"density": 11.57212947218796,
"density_atomic": 0.058657580526216044,
"volume": 68.19237963987051,
"volume_molar": 10.266602723766457,
"formula_full": "Sc2 Os1 Pt1",
"formula_reduced": "Sc2OsPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2085992249999995,
"spacegroup": 225
},
{
"id": "jvasp-110031",
"created_at": "2022-09-04T14:38:18.050713Z",
"updated_at": "2022-09-04T14:38:18.050736Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n3.936214 -0.000000 2.272574\n1.312071 3.711098 2.272574\n-0.000000 -0.000000 4.545148\nSc Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750000 0.749999 Sc\n0.499999 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 9.580151478222156,
"density_atomic": 0.06024636342209597,
"volume": 66.39404891504138,
"volume_molar": 9.995857704817613,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.312757125,
"spacegroup": 225
},
{
"id": "jvasp-87934",
"created_at": "2022-09-04T14:36:08.994479Z",
"updated_at": "2022-09-04T14:36:08.994499Z",
"structure_string": "Sc8 Pb4 S16\n1.0\n3.766233 -0.000000 0.000000\n0.000000 11.735033 0.000000\n0.000000 0.000000 13.732471\nSc Pb S\n8 4 16\ndirect\n0.749999 0.582811 0.096397 Sc\n0.250000 0.417189 0.903602 Sc\n0.749999 0.082811 0.403602 Sc\n0.250000 0.917189 0.596397 Sc\n0.250000 0.943251 0.110843 Sc\n0.749999 0.056749 0.889157 Sc\n0.250000 0.443251 0.389157 Sc\n0.749999 0.556749 0.610843 Sc\n0.250000 0.259700 0.171057 Pb\n0.250000 0.759699 0.328943 Pb\n0.749999 0.240300 0.671057 Pb\n0.749999 0.740300 0.828943 Pb\n0.250000 0.702771 0.656498 S\n0.749999 0.297228 0.343502 S\n0.250000 0.911947 0.927446 S\n0.749999 0.878428 0.471051 S\n0.250000 0.121572 0.528949 S\n0.749999 0.378428 0.028949 S\n0.250000 0.621572 0.971051 S\n0.749999 0.468254 0.784293 S\n0.250000 0.531746 0.215707 S\n0.749999 0.968254 0.715707 S\n0.250000 0.031746 0.284293 S\n0.749999 0.588053 0.427446 S\n0.250000 0.411947 0.572554 S\n0.749999 0.088053 0.072554 S\n0.749999 0.797228 0.156498 S\n0.250000 0.202771 0.843502 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sc",
"density": 4.655192217608329,
"density_atomic": 0.04613365262831174,
"volume": 606.9322155258241,
"volume_molar": 13.05368297741132,
"formula_full": "Sc8 Pb4 S16",
"formula_reduced": "Sc2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.885084474285714,
"spacegroup": 62
},
{
"id": "jvasp-39105",
"created_at": "2022-09-04T14:37:52.467838Z",
"updated_at": "2022-09-04T14:37:52.467862Z",
"structure_string": "Sc2 Pd1 Au1\n1.0\n0.000000 3.345225 3.345225\n3.345225 -0.000000 3.345225\n3.345225 3.345225 0.000000\nSc Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499998 0.499998 0.499998 Sc\n0.749999 0.749999 0.749999 Pd\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Sc",
"density": 8.722987948055763,
"density_atomic": 0.05342616417873744,
"volume": 74.86968344981655,
"volume_molar": 11.27189430978594,
"formula_full": "Sc2 Pd1 Au1",
"formula_reduced": "Sc2PdAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5992534425000002,
"spacegroup": 225
},
{
"id": "jvasp-41871",
"created_at": "2022-09-04T14:37:30.621688Z",
"updated_at": "2022-09-04T14:37:30.621714Z",
"structure_string": "Sc2 Pd1 Pt1\n1.0\n0.000000 3.293332 3.293332\n3.293332 0.000000 3.293332\n3.293332 3.293332 0.000000\nSc Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Pd\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Sc",
"density": 9.098104878103179,
"density_atomic": 0.05599167420897552,
"volume": 71.43919263908697,
"volume_molar": 10.75542184633344,
"formula_full": "Sc2 Pd1 Pt1",
"formula_reduced": "Sc2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0856019000000003,
"spacegroup": 225
},
{
"id": "jvasp-110466",
"created_at": "2022-09-04T14:38:38.304505Z",
"updated_at": "2022-09-04T14:38:38.304526Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n3.991473 -0.000000 2.304478\n1.330491 3.763196 2.304478\n0.000000 0.000000 4.608956\nSc Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.750001 Sc\n0.499999 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Sc",
"density": 7.177484501267101,
"density_atomic": 0.05777865061283079,
"volume": 69.22972339391616,
"volume_molar": 10.422778476350702,
"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1897498,
"spacegroup": 225
},
{
"id": "jvasp-41878",
"created_at": "2022-09-04T14:37:34.574119Z",
"updated_at": "2022-09-04T14:37:34.574146Z",
"structure_string": "Sc2 Pd1 Ru1\n1.0\n-0.000000 3.239618 3.239618\n3.239618 -0.000000 3.239618\n3.239618 3.239618 -0.000000\nSc Pd Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Ru"
],
"chemical_system": "Pd-Ru-Sc",
"density": 7.2624193005273385,
"density_atomic": 0.05882319175154805,
"volume": 68.00039033745108,
"volume_molar": 10.237698058676859,
"formula_full": "Sc2 Pd1 Ru1",
"formula_reduced": "Sc2PdRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6316566750000003,
"spacegroup": 225
}
]
}