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=-volume_molar&page=589",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=587",
"results": [
{
"id": "jvasp-38582",
"created_at": "2022-09-04T14:37:58.828531Z",
"updated_at": "2022-09-04T14:37:58.828557Z",
"structure_string": "Nd3 Hg1\n1.0\n-2.407816 2.407816 5.089735\n2.407816 -2.407816 5.089735\n2.407816 2.407816 -5.089735\nNd Hg\n3 1\ndirect\n0.750000 0.250000 0.500001 Nd\n0.250000 0.750000 0.500001 Nd\n0.500001 0.500001 0.000000 Nd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 8.909796873770784,
"density_atomic": 0.03388895965704198,
"volume": 118.03254040490492,
"volume_molar": 17.77021431446812,
"formula_full": "Nd3 Hg1",
"formula_reduced": "Nd3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0790385000000002,
"spacegroup": 139
},
{
"id": "jvasp-106244",
"created_at": "2022-09-04T14:37:47.434065Z",
"updated_at": "2022-09-04T14:37:47.434084Z",
"structure_string": "Er3\n1.0\n3.411422 -0.008216 7.892292\n1.626089 2.998950 7.892292\n-0.013839 -0.008216 8.598015\nEr\n3\ndirect\n0.000000 0.000000 0.000000 Er\n0.221999 0.221998 0.221999 Er\n0.778002 0.778000 0.778003 Er\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.412509060001915,
"density_atomic": 0.03388962894893274,
"volume": 88.52265702054777,
"volume_molar": 17.769863367564696,
"formula_full": "Er3",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-69275",
"created_at": "2022-09-04T14:36:18.269263Z",
"updated_at": "2022-09-04T14:36:18.269287Z",
"structure_string": "Ba1 Si2 Br1\n1.0\n4.260626 0.000000 -0.000000\n0.000000 4.260626 0.000000\n-0.000000 -0.000000 6.501962\nBa Si Br\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.500001 0.000000 Si\n0.500001 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Br"
],
"chemical_system": "Ba-Br-Si",
"density": 3.8464450377907893,
"density_atomic": 0.03388977908162278,
"volume": 118.0296864835291,
"volume_molar": 17.769784646562044,
"formula_full": "Ba1 Si2 Br1",
"formula_reduced": "BaSi2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.43560931875,
"spacegroup": 123
},
{
"id": "jvasp-110542",
"created_at": "2022-09-04T14:38:39.226099Z",
"updated_at": "2022-09-04T14:38:39.226124Z",
"structure_string": "Sn4 Te1 Se3\n1.0\n4.277160 0.000000 0.000000\n0.000000 4.639728 0.022859\n0.000000 -0.041066 11.894655\nSn Te Se\n4 1 3\ndirect\n0.500000 0.576856 0.624382 Sn\n0.500000 0.885028 0.120150 Sn\n0.000000 0.379180 0.373436 Sn\n0.000000 0.137434 0.890798 Sn\n0.000000 0.025364 0.641507 Te\n0.500000 0.529207 0.857938 Se\n0.500000 0.980496 0.350128 Se\n0.000000 0.486434 0.141662 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sn",
"Te",
"Se"
],
"chemical_system": "Se-Sn-Te",
"density": 5.904313573485535,
"density_atomic": 0.03389087112709918,
"volume": 236.05176656563398,
"volume_molar": 17.76921206131137,
"formula_full": "Sn4 Te1 Se3",
"formula_reduced": "Sn4TeSe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9304968333333332,
"spacegroup": 6
},
{
"id": "jvasp-74989",
"created_at": "2022-09-04T14:35:55.691071Z",
"updated_at": "2022-09-04T14:35:55.691098Z",
"structure_string": "K2 Mn1 Be1\n1.0\n-2.366449 2.366449 5.268770\n2.366449 -2.366449 5.268770\n2.366449 2.366449 -5.268770\nK Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Mn",
"Be"
],
"chemical_system": "Be-K-Mn",
"density": 1.9999665720391335,
"density_atomic": 0.03389194249485855,
"volume": 118.02215233331063,
"volume_molar": 17.768650353733978,
"formula_full": "K2 Mn1 Be1",
"formula_reduced": "K2MnBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3306423353448271,
"spacegroup": 139
},
{
"id": "jvasp-39023",
"created_at": "2022-09-04T14:37:55.288913Z",
"updated_at": "2022-09-04T14:37:55.288937Z",
"structure_string": "Sm3 Zr1\n1.0\n-2.458984 2.458984 4.879674\n2.458984 -2.458984 4.879674\n2.458984 2.458984 -4.879674\nSm Zr\n3 1\ndirect\n0.749999 0.250000 0.499999 Sm\n0.250000 0.749999 0.499999 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Zr"
],
"chemical_system": "Sm-Zr",
"density": 7.630090680051628,
"density_atomic": 0.03389204586557664,
"volume": 118.02179236582194,
"volume_molar": 17.768596159361827,
"formula_full": "Sm3 Zr1",
"formula_reduced": "Sm3Zr",
"formula_anonymous": "AB3",
"energy_above_hull": 2.24925778125,
"spacegroup": 139
},
{
"id": "jvasp-34769",
"created_at": "2022-09-04T14:37:53.241723Z",
"updated_at": "2022-09-04T14:37:53.241745Z",
"structure_string": "Ba4 Cl8\n1.0\n4.733923 -0.000000 0.000000\n-0.000000 7.875217 0.000000\n0.000000 0.000000 9.497074\nBa Cl\n4 8\ndirect\n0.250000 0.748613 0.619052 Ba\n0.750000 0.251388 0.380947 Ba\n0.250000 0.248612 0.880947 Ba\n0.750000 0.751388 0.119052 Ba\n0.250000 0.530433 0.328487 Cl\n0.750000 0.469567 0.671513 Cl\n0.250000 0.030433 0.171513 Cl\n0.750000 0.969567 0.828486 Cl\n0.750000 0.856353 0.430796 Cl\n0.250000 0.143648 0.569203 Cl\n0.750000 0.356353 0.069203 Cl\n0.250000 0.643648 0.930796 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.906475489124365,
"density_atomic": 0.03389281998404666,
"volume": 354.05729017675117,
"volume_molar": 17.76819032123801,
"formula_full": "Ba4 Cl8",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-90042",
"created_at": "2022-09-04T14:38:06.988530Z",
"updated_at": "2022-09-04T14:38:06.988552Z",
"structure_string": "Sn1 Br6 N2\n1.0\n-5.101497 -5.101497 0.000000\n-5.101497 -0.000000 -5.101497\n0.000000 -5.101497 -5.101497\nSn Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.743034 0.256967 0.256967 Br\n0.743034 0.256967 0.743034 Br\n0.743034 0.743034 0.256967 Br\n0.256967 0.743034 0.743034 Br\n0.256967 0.743034 0.256967 Br\n0.256967 0.256967 0.743034 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sn",
"Br",
"N"
],
"chemical_system": "Br-N-Sn",
"density": 3.9156401822201548,
"density_atomic": 0.03389374884554607,
"volume": 265.535690401585,
"volume_molar": 17.76770338224584,
"formula_full": "Sn1 Br6 N2",
"formula_reduced": "Sn(Br3N)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.448716981111111,
"spacegroup": 225
},
{
"id": "jvasp-102743",
"created_at": "2022-09-04T14:36:40.783062Z",
"updated_at": "2022-09-04T14:36:40.783078Z",
"structure_string": "Ho2 Te1 S2\n1.0\n4.980630 -0.000986 -5.557197\n-0.448252 3.964176 -6.306623\n0.006664 0.000986 7.462511\nHo Te S\n2 1 2\ndirect\n0.832387 0.332387 0.500000 Ho\n0.167613 0.667614 0.500001 Ho\n0.000000 0.000000 0.000000 Te\n0.700061 0.700061 0.000000 S\n0.299939 0.299939 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Te",
"S"
],
"chemical_system": "Ho-S-Te",
"density": 5.871314703595123,
"density_atomic": 0.03389428499285037,
"volume": 147.51749449957995,
"volume_molar": 17.767422328779926,
"formula_full": "Ho2 Te1 S2",
"formula_reduced": "Ho2TeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2054797799999997,
"spacegroup": 71
},
{
"id": "jvasp-3555",
"created_at": "2022-09-04T14:36:20.326460Z",
"updated_at": "2022-09-04T14:36:20.326486Z",
"structure_string": "Rb2 Te1 Cl6\n1.0\n6.247943 0.000000 3.607251\n2.082647 5.890618 3.607251\n0.000000 0.000000 7.214503\nRb Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Te\n0.251436 0.748565 0.748564 Cl\n0.251436 0.748565 0.251435 Cl\n0.748564 0.251436 0.748564 Cl\n0.748564 0.251436 0.251436 Cl\n0.748564 0.748565 0.251435 Cl\n0.251436 0.251436 0.748564 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Cl"
],
"chemical_system": "Cl-Rb-Te",
"density": 3.1972834472916922,
"density_atomic": 0.03389519776149508,
"volume": 265.5243395636415,
"volume_molar": 17.76694386731429,
"formula_full": "Rb2 Te1 Cl6",
"formula_reduced": "Rb2TeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106616",
"created_at": "2022-09-04T14:36:45.877605Z",
"updated_at": "2022-09-04T14:36:45.877625Z",
"structure_string": "Yb2 Mg2\n1.0\n3.899448 -0.000000 0.000000\n0.000000 5.501144 0.000000\n0.000000 -0.000000 5.501134\nYb Mg\n2 2\ndirect\n-0.000000 0.749999 0.749854 Yb\n-0.000000 0.250000 0.250145 Yb\n0.500000 0.749999 0.249814 Mg\n0.500000 0.250000 0.750185 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.553884579432334,
"density_atomic": 0.03389624739790036,
"volume": 118.0071632427303,
"volume_molar": 17.7663936934005,
"formula_full": "Yb2 Mg2",
"formula_reduced": "YbMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2726621428571428,
"spacegroup": 221
},
{
"id": "jvasp-122912",
"created_at": "2022-09-04T14:38:55.193774Z",
"updated_at": "2022-09-04T14:38:55.193805Z",
"structure_string": "Sm3 Zn1\n1.0\n1.812318 -3.139027 -0.000000\n1.812318 3.139027 0.000000\n-0.000000 -0.000000 10.370143\nSm Zn\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666668 0.216188 Sm\n0.666668 0.333333 0.783812 Sm\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.268854538014996,
"density_atomic": 0.033901256527839665,
"volume": 117.98972692104215,
"volume_molar": 17.763768593811932,
"formula_full": "Sm3 Zn1",
"formula_reduced": "Sm3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 164
}
]
}