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=id&page=3414",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=3412",
"results": [
{
"id": "jvasp-65708",
"created_at": "2022-09-04T14:36:20.135231Z",
"updated_at": "2022-09-04T14:36:20.135255Z",
"structure_string": "Ba2 Mo1 Pb1\n1.0\n0.000000 4.181462 4.181462\n4.181462 0.000000 4.181462\n4.181462 4.181462 -0.000000\nBa Mo Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pb"
],
"chemical_system": "Ba-Mo-Pb",
"density": 6.561568489067352,
"density_atomic": 0.027355555136397782,
"volume": 146.2225855061454,
"volume_molar": 22.014324805228586,
"formula_full": "Ba2 Mo1 Pb1",
"formula_reduced": "Ba2MoPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.570694665,
"spacegroup": 225
},
{
"id": "jvasp-65709",
"created_at": "2022-09-04T14:36:20.935878Z",
"updated_at": "2022-09-04T14:36:20.935905Z",
"structure_string": "Ba2 Hg1 Te1\n1.0\n-0.000000 4.188771 4.188771\n4.188771 0.000000 4.188771\n4.188771 4.188771 -0.000000\nBa Hg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Te"
],
"chemical_system": "Ba-Hg-Te",
"density": 6.810267802923037,
"density_atomic": 0.027212606469780885,
"volume": 146.9906972873741,
"volume_molar": 22.129966736877925,
"formula_full": "Ba2 Hg1 Te1",
"formula_reduced": "Ba2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65710",
"created_at": "2022-09-04T14:35:42.360872Z",
"updated_at": "2022-09-04T14:35:42.360901Z",
"structure_string": "Ba1 Ca2 Y1\n1.0\n4.122290 0.000000 0.000000\n0.000000 4.122290 -0.000000\n0.000000 0.000000 9.804913\nBa Ca Y\n1 2 1\ndirect\n0.500000 0.500000 0.734133 Ba\n0.000000 0.000000 0.032123 Ca\n0.500000 0.500000 0.264761 Ca\n0.000000 0.000000 0.468983 Y\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Y"
],
"chemical_system": "Ba-Ca-Y",
"density": 3.0535232274083097,
"density_atomic": 0.02400707035616615,
"volume": 166.61758143148904,
"volume_molar": 25.08486321177973,
"formula_full": "Ba1 Ca2 Y1",
"formula_reduced": "BaCa2Y",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4785505649999999,
"spacegroup": 99
},
{
"id": "jvasp-65711",
"created_at": "2022-09-04T14:35:44.967440Z",
"updated_at": "2022-09-04T14:35:44.967459Z",
"structure_string": "Ba1 Na2 Hg1\n1.0\n4.183490 -0.000000 -0.000000\n0.000000 4.183490 -0.000000\n0.000000 0.000000 8.036710\nBa Na Hg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.685436 Na\n0.000000 0.000000 0.314564 Na\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Hg"
],
"chemical_system": "Ba-Hg-Na",
"density": 4.532183923958307,
"density_atomic": 0.028438338779605686,
"volume": 140.65519195757545,
"volume_molar": 21.176134114833484,
"formula_full": "Ba1 Na2 Hg1",
"formula_reduced": "BaNa2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65714",
"created_at": "2022-09-04T14:35:50.720550Z",
"updated_at": "2022-09-04T14:35:50.720572Z",
"structure_string": "Ba1 Hf1 W2\n1.0\n-2.072917 2.072917 4.984858\n2.072917 -2.072917 4.984858\n2.072917 2.072917 -4.984858\nBa Hf W\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"W"
],
"chemical_system": "Ba-Hf-W",
"density": 13.246742706730247,
"density_atomic": 0.046685647029321875,
"volume": 85.67943799702975,
"volume_molar": 12.899340896395142,
"formula_full": "Ba1 Hf1 W2",
"formula_reduced": "BaHfW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6795847425,
"spacegroup": 139
},
{
"id": "jvasp-65715",
"created_at": "2022-09-04T14:35:55.822040Z",
"updated_at": "2022-09-04T14:35:55.822067Z",
"structure_string": "Ba1 Tl2 Br1\n1.0\n4.125387 -0.000000 0.000000\n-0.000000 5.968576 0.000000\n0.000000 0.000000 6.219463\nBa Tl Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.754196 Tl\n0.000000 0.000000 0.245804 Tl\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Br"
],
"chemical_system": "Ba-Br-Tl",
"density": 6.787869014901405,
"density_atomic": 0.026119910160872947,
"volume": 153.13988353573714,
"volume_molar": 23.055748365555388,
"formula_full": "Ba1 Tl2 Br1",
"formula_reduced": "BaTl2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-65716",
"created_at": "2022-09-04T14:35:59.275264Z",
"updated_at": "2022-09-04T14:35:59.275275Z",
"structure_string": "Ba1 Cd2 Sb1\n1.0\n4.208982 0.000000 0.000000\n0.000000 4.208982 0.000000\n0.000000 0.000000 7.092489\nBa Cd Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.791436 Cd\n0.000000 0.000000 0.208564 Cd\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.395286264664914,
"density_atomic": 0.03183517074459545,
"volume": 125.64719794000371,
"volume_molar": 18.91662780235711,
"formula_full": "Ba1 Cd2 Sb1",
"formula_reduced": "BaCd2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65717",
"created_at": "2022-09-04T14:36:03.661623Z",
"updated_at": "2022-09-04T14:36:03.661648Z",
"structure_string": "Ba1 Na2 Hg1\n1.0\n4.184438 0.000000 0.000000\n0.000000 4.182853 0.000000\n0.000000 0.000000 8.034539\nBa Na Hg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.685452 Na\n0.000000 0.000000 0.314548 Na\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Hg"
],
"chemical_system": "Ba-Hg-Na",
"density": 4.533071726723441,
"density_atomic": 0.028443909523473972,
"volume": 140.62764461752033,
"volume_molar": 21.17198676584909,
"formula_full": "Ba1 Na2 Hg1",
"formula_reduced": "BaNa2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 123
},
{
"id": "jvasp-65718",
"created_at": "2022-09-04T14:36:07.317472Z",
"updated_at": "2022-09-04T14:36:07.317506Z",
"structure_string": "Ba1 P2 Ru1\n1.0\n5.063659 0.000000 0.000000\n0.000000 5.063659 0.000000\n0.000000 0.000000 3.238624\nBa P Ru\n1 2 1\ndirect\n0.000000 -0.000000 0.499999 Ba\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 -0.000000 P\n0.500000 0.500000 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"P",
"Ru"
],
"chemical_system": "Ba-P-Ru",
"density": 6.005917783413657,
"density_atomic": 0.048169324768116355,
"volume": 83.0404000731941,
"volume_molar": 12.502024450187232,
"formula_full": "Ba1 P2 Ru1",
"formula_reduced": "BaP2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6633493675,
"spacegroup": 123
},
{
"id": "jvasp-65719",
"created_at": "2022-09-04T14:36:08.201615Z",
"updated_at": "2022-09-04T14:36:08.201636Z",
"structure_string": "Ba2 Sb1 Mo1\n1.0\n0.000000 4.177457 4.177457\n4.177457 0.000000 4.177457\n4.177457 4.177457 0.000000\nBa Sb Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Mo"
],
"chemical_system": "Ba-Mo-Sb",
"density": 5.607387996732678,
"density_atomic": 0.027434309317221572,
"volume": 145.80283227648258,
"volume_molar": 21.951129479391234,
"formula_full": "Ba2 Sb1 Mo1",
"formula_reduced": "Ba2SbMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.860235985,
"spacegroup": 225
},
{
"id": "jvasp-65720",
"created_at": "2022-09-04T14:36:11.650599Z",
"updated_at": "2022-09-04T14:36:11.650620Z",
"structure_string": "Ba1 Cr1 Si2\n1.0\n4.538771 0.000000 0.000000\n0.000000 4.538771 0.000000\n0.000000 -0.000000 4.615867\nBa Cr Si\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Si"
],
"chemical_system": "Ba-Cr-Si",
"density": 4.287067556042636,
"density_atomic": 0.04206589776135534,
"volume": 95.08890129226431,
"volume_molar": 14.31596870739404,
"formula_full": "Ba1 Cr1 Si2",
"formula_reduced": "BaCrSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8470576425,
"spacegroup": 123
},
{
"id": "jvasp-65721",
"created_at": "2022-09-04T14:36:12.894010Z",
"updated_at": "2022-09-04T14:36:12.894038Z",
"structure_string": "Ba2 Tl1 Zn1\n1.0\n-0.000000 4.175669 4.175669\n4.175669 0.000000 4.175669\n4.175669 4.175669 0.000000\nBa Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 6.208632534839686,
"density_atomic": 0.02746956610034167,
"volume": 145.6156964907519,
"volume_molar": 21.92295552831865,
"formula_full": "Ba2 Tl1 Zn1",
"formula_reduced": "Ba2TlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}