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=303",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=301",
"results": [
{
"id": "jvasp-64581",
"created_at": "2022-09-04T14:35:42.731433Z",
"updated_at": "2022-09-04T14:35:42.731443Z",
"structure_string": "Ba4 Zr1 Cd1\n1.0\n0.000000 5.049908 5.049908\n5.049908 0.000000 5.049908\n5.049908 5.049908 0.000000\nBa Zr Cd\n4 1 1\ndirect\n0.124896 0.625035 0.625035 Ba\n0.625035 0.625035 0.625035 Ba\n0.625035 0.124896 0.625035 Ba\n0.625035 0.625035 0.124896 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cd"
],
"chemical_system": "Ba-Cd-Zr",
"density": 4.854346842964257,
"density_atomic": 0.023295436703411703,
"volume": 257.5611728764577,
"volume_molar": 25.851160622878705,
"formula_full": "Ba4 Zr1 Cd1",
"formula_reduced": "Ba4ZrCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3813430216666666,
"spacegroup": 216
},
{
"id": "jvasp-64188",
"created_at": "2022-09-04T14:35:46.292389Z",
"updated_at": "2022-09-04T14:35:46.292416Z",
"structure_string": "Ba4 Zr1 Cu1\n1.0\n-0.000000 5.005228 5.005228\n5.005228 -0.000000 5.005228\n5.005228 5.005228 0.000000\nBa Zr Cu\n4 1 1\ndirect\n0.125353 0.624882 0.624882 Ba\n0.624882 0.624882 0.624882 Ba\n0.624882 0.125353 0.624882 Ba\n0.624882 0.624882 0.125353 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cu"
],
"chemical_system": "Ba-Cu-Zr",
"density": 4.661957176668693,
"density_atomic": 0.023924873958305615,
"volume": 250.78502024530317,
"volume_molar": 25.17104487361109,
"formula_full": "Ba4 Zr1 Cu1",
"formula_reduced": "Ba4ZrCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6958964716666667,
"spacegroup": 216
},
{
"id": "jvasp-64192",
"created_at": "2022-09-04T14:35:52.938181Z",
"updated_at": "2022-09-04T14:35:52.938207Z",
"structure_string": "Ba4 Zr1 Ga1\n1.0\n-0.000000 4.996216 4.996216\n4.996216 -0.000000 4.996216\n4.996216 4.996216 -0.000000\nBa Zr Ga\n4 1 1\ndirect\n0.125997 0.624668 0.624668 Ba\n0.624668 0.624668 0.624668 Ba\n0.624668 0.125997 0.624668 Ba\n0.624668 0.624668 0.125997 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ga"
],
"chemical_system": "Ba-Ga-Zr",
"density": 4.728351826591358,
"density_atomic": 0.024054572179605816,
"volume": 249.43282945131648,
"volume_molar": 25.035326818681693,
"formula_full": "Ba4 Zr1 Ga1",
"formula_reduced": "Ba4ZrGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6575651175,
"spacegroup": 216
},
{
"id": "jvasp-63891",
"created_at": "2022-09-04T14:36:08.248878Z",
"updated_at": "2022-09-04T14:36:08.248890Z",
"structure_string": "Ba4 Zr1 Ge1\n1.0\n0.000000 4.947796 4.947796\n4.947796 0.000000 4.947796\n4.947796 4.947796 0.000000\nBa Zr Ge\n4 1 1\ndirect\n0.127144 0.624286 0.624286 Ba\n0.624286 0.624286 0.624286 Ba\n0.624286 0.127144 0.624286 Ba\n0.624286 0.624286 0.127144 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ge"
],
"chemical_system": "Ba-Ge-Zr",
"density": 4.888527135576087,
"density_atomic": 0.024767712582400115,
"volume": 242.25087318978288,
"volume_molar": 24.31448095969638,
"formula_full": "Ba4 Zr1 Ge1",
"formula_reduced": "Ba4ZrGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8846523883333334,
"spacegroup": 216
},
{
"id": "jvasp-64858",
"created_at": "2022-09-04T14:35:42.028051Z",
"updated_at": "2022-09-04T14:35:42.028066Z",
"structure_string": "Ba4 Zr1 Hg1\n1.0\n0.000000 5.030876 5.030876\n5.030876 0.000000 5.030876\n5.030876 5.030876 0.000000\nBa Zr Hg\n4 1 1\ndirect\n0.125324 0.624893 0.624893 Ba\n0.624893 0.624893 0.624893 Ba\n0.624893 0.125324 0.624893 Ba\n0.624893 0.624893 0.125324 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Hg"
],
"chemical_system": "Ba-Hg-Zr",
"density": 5.484628991115725,
"density_atomic": 0.023560820769607645,
"volume": 254.66005869115216,
"volume_molar": 25.55997865646633,
"formula_full": "Ba4 Zr1 Hg1",
"formula_reduced": "Ba4ZrHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4246321633333333,
"spacegroup": 216
},
{
"id": "jvasp-64301",
"created_at": "2022-09-04T14:36:17.022927Z",
"updated_at": "2022-09-04T14:36:17.022957Z",
"structure_string": "Ba4 Zr1 In1\n1.0\n-0.000000 5.019873 5.019873\n5.019873 -0.000000 5.019873\n5.019873 5.019873 -0.000000\nBa Zr In\n4 1 1\ndirect\n0.125714 0.624762 0.624762 Ba\n0.624762 0.624762 0.624762 Ba\n0.624762 0.125714 0.624762 Ba\n0.624762 0.624762 0.125714 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"In"
],
"chemical_system": "Ba-In-Zr",
"density": 4.957801627686002,
"density_atomic": 0.023716088652200974,
"volume": 252.99281378100133,
"volume_molar": 25.392638930960963,
"formula_full": "Ba4 Zr1 In1",
"formula_reduced": "Ba4ZrIn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6297880583333333,
"spacegroup": 216
},
{
"id": "jvasp-66526",
"created_at": "2022-09-04T14:35:44.688337Z",
"updated_at": "2022-09-04T14:35:44.688363Z",
"structure_string": "Ba4 Zr1 Ir1\n1.0\n-0.000000 4.780397 4.780397\n4.780397 0.000000 4.780397\n4.780397 4.780397 -0.000000\nBa Zr Ir\n4 1 1\ndirect\n0.127995 0.624002 0.624002 Ba\n0.624002 0.624002 0.624002 Ba\n0.624002 0.127995 0.624002 Ba\n0.624002 0.624002 0.127995 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ir"
],
"chemical_system": "Ba-Ir-Zr",
"density": 6.329090797141461,
"density_atomic": 0.02746182271708145,
"volume": 218.48513340915122,
"volume_molar": 21.929137122621455,
"formula_full": "Ba4 Zr1 Ir1",
"formula_reduced": "Ba4ZrIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6608365799999998,
"spacegroup": 216
},
{
"id": "jvasp-66323",
"created_at": "2022-09-04T14:36:22.537112Z",
"updated_at": "2022-09-04T14:36:22.537140Z",
"structure_string": "Ba4 Zr1 Mo1\n1.0\n0.000000 4.767422 4.767422\n4.767422 -0.000000 4.767422\n4.767422 4.767422 -0.000000\nBa Zr Mo\n4 1 1\ndirect\n0.126243 0.624585 0.624585 Ba\n0.624585 0.624585 0.624585 Ba\n0.624585 0.126243 0.624585 Ba\n0.624585 0.624585 0.126243 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Mo"
],
"chemical_system": "Ba-Mo-Zr",
"density": 5.643188444372857,
"density_atomic": 0.027686653525697876,
"volume": 216.71091431945683,
"volume_molar": 21.751060504334475,
"formula_full": "Ba4 Zr1 Mo1",
"formula_reduced": "Ba4ZrMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.968640713333333,
"spacegroup": 216
},
{
"id": "jvasp-63933",
"created_at": "2022-09-04T14:36:02.521618Z",
"updated_at": "2022-09-04T14:36:02.521643Z",
"structure_string": "Ba4 Zr1 Nb1\n1.0\n-0.000000 4.814358 4.814358\n4.814358 -0.000000 4.814358\n4.814358 4.814358 0.000000\nBa Zr Nb\n4 1 1\ndirect\n0.125836 0.624721 0.624721 Ba\n0.624721 0.624721 0.624721 Ba\n0.624721 0.125836 0.624721 Ba\n0.624721 0.624721 0.125836 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Nb"
],
"chemical_system": "Ba-Nb-Zr",
"density": 5.457171333918199,
"density_atomic": 0.026884756646345178,
"volume": 223.1747930221888,
"volume_molar": 22.399833627724778,
"formula_full": "Ba4 Zr1 Nb1",
"formula_reduced": "Ba4ZrNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8512162966666668,
"spacegroup": 216
},
{
"id": "jvasp-64138",
"created_at": "2022-09-04T14:37:41.083988Z",
"updated_at": "2022-09-04T14:37:41.084009Z",
"structure_string": "Ba4 Zr1 Ni1\n1.0\n-0.000000 4.942053 4.942053\n4.942053 -0.000000 4.942053\n4.942053 4.942053 0.000000\nBa Zr Ni\n4 1 1\ndirect\n0.125965 0.624678 0.624678 Ba\n0.624678 0.624678 0.624678 Ba\n0.624678 0.125965 0.624678 Ba\n0.624678 0.624678 0.125965 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ni"
],
"chemical_system": "Ba-Ni-Zr",
"density": 4.809656958544931,
"density_atomic": 0.024854158234252254,
"volume": 241.40829648904472,
"volume_molar": 24.229912368147353,
"formula_full": "Ba4 Zr1 Ni1",
"formula_reduced": "Ba4ZrNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9872367966666666,
"spacegroup": 216
},
{
"id": "jvasp-46107",
"created_at": "2022-09-04T14:38:06.974300Z",
"updated_at": "2022-09-04T14:38:06.974315Z",
"structure_string": "Ba8 Zr2 O12\n1.0\n5.237327 3.023772 4.340025\n-5.237327 3.023772 4.340025\n0.000000 -6.047543 4.340025\nBa Zr O\n8 2 12\ndirect\n0.111254 0.750000 0.388745 Ba\n0.249999 0.611254 0.888745 Ba\n0.611254 0.888745 0.250000 Ba\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.388745 0.111254 0.749999 Ba\n0.750000 0.388745 0.111254 Ba\n0.888745 0.249999 0.611254 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Zr\n0.558225 0.226452 0.426133 O\n0.926133 0.726452 0.058225 O\n0.773547 0.573866 0.441774 O\n0.573866 0.441774 0.773547 O\n0.426133 0.558225 0.226452 O\n0.058225 0.926133 0.726452 O\n0.073866 0.273547 0.941774 O\n0.441774 0.773547 0.573866 O\n0.273547 0.941774 0.073866 O\n0.726452 0.058225 0.926133 O\n0.226452 0.426133 0.558225 O\n0.941774 0.073866 0.273547 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.931525820751433,
"density_atomic": 0.053348291483576574,
"volume": 412.38434049519213,
"volume_molar": 11.288347934917343,
"formula_full": "Ba8 Zr2 O12",
"formula_reduced": "Ba4ZrO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.6787417618181817,
"spacegroup": 167
},
{
"id": "jvasp-66616",
"created_at": "2022-09-04T14:36:03.068938Z",
"updated_at": "2022-09-04T14:36:03.068967Z",
"structure_string": "Ba4 Zr1 Os1\n1.0\n-0.000000 4.755527 4.755527\n4.755527 -0.000000 4.755527\n4.755527 4.755527 -0.000000\nBa Zr Os\n4 1 1\ndirect\n0.127583 0.624139 0.624139 Ba\n0.624139 0.624139 0.624139 Ba\n0.624139 0.127583 0.624139 Ba\n0.624139 0.624139 0.127583 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Os"
],
"chemical_system": "Ba-Os-Zr",
"density": 6.413568974212374,
"density_atomic": 0.027894931508679846,
"volume": 215.09283857295105,
"volume_molar": 21.588655839237813,
"formula_full": "Ba4 Zr1 Os1",
"formula_reduced": "Ba4ZrOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9567955633333332,
"spacegroup": 216
}
]
}