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=4361",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4359",
"results": [
{
"id": "jvasp-29571",
"created_at": "2022-09-04T14:37:31.617288Z",
"updated_at": "2022-09-04T14:37:31.617313Z",
"structure_string": "Bi2 Te5 Pb2\n1.0\n4.507033 0.000000 -0.000000\n-2.253517 3.903205 0.000000\n-0.000000 0.000000 18.440831\nBi Te Pb\n2 5 2\ndirect\n0.333333 0.666668 0.108826 Bi\n0.666666 0.333333 0.891174 Bi\n0.666666 0.333333 0.574922 Te\n0.666666 0.333333 0.201472 Te\n0.333333 0.666668 0.798527 Te\n0.000000 0.000000 0.000000 Te\n0.333333 0.666668 0.425078 Te\n0.000000 -0.000000 0.338174 Pb\n0.000000 -0.000000 0.661826 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Pb"
],
"chemical_system": "Bi-Pb-Te",
"density": 7.526280950049124,
"density_atomic": 0.027742776444087007,
"volume": 324.40877062678516,
"volume_molar": 21.70705867214504,
"formula_full": "Bi2 Te5 Pb2",
"formula_reduced": "Bi2Te5Pb2",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.8733798970370372,
"spacegroup": 164
},
{
"id": "jvasp-69363",
"created_at": "2022-09-04T14:36:17.401143Z",
"updated_at": "2022-09-04T14:36:17.401164Z",
"structure_string": "Ba2 Cd1 Cl1\n1.0\n-0.000000 4.161943 4.161943\n4.161943 0.000000 4.161943\n4.161943 4.161943 -0.000000\nBa Cd Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Cl"
],
"chemical_system": "Ba-Cd-Cl",
"density": 4.866042896265823,
"density_atomic": 0.02774224556173957,
"volume": 144.18443492968566,
"volume_molar": 21.707474063690693,
"formula_full": "Ba2 Cd1 Cl1",
"formula_reduced": "Ba2CdCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66490",
"created_at": "2022-09-04T14:35:48.628696Z",
"updated_at": "2022-09-04T14:35:48.628719Z",
"structure_string": "Ba4 Sc1 Re1\n1.0\n0.000000 4.764268 4.764268\n4.764268 -0.000000 4.764268\n4.764268 4.764268 0.000000\nBa Sc Re\n4 1 1\ndirect\n0.127702 0.624099 0.624099 Ba\n0.624099 0.624099 0.624099 Ba\n0.624099 0.127702 0.624099 Ba\n0.624099 0.624099 0.127702 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Re"
],
"chemical_system": "Ba-Re-Sc",
"density": 5.992213421828646,
"density_atomic": 0.02774167658103617,
"volume": 216.28108822022378,
"volume_molar": 21.70791928313609,
"formula_full": "Ba4 Sc1 Re1",
"formula_reduced": "Ba4ScRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.813167855,
"spacegroup": 216
},
{
"id": "jvasp-105685",
"created_at": "2022-09-04T14:35:50.279550Z",
"updated_at": "2022-09-04T14:35:50.279569Z",
"structure_string": "Rb3 Dy1 Cl6\n1.0\n6.918504 0.000000 3.994400\n2.306168 6.522828 3.994400\n-0.000000 -0.000000 7.988800\nRb Dy Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n0.768420 0.231580 0.231580 Cl\n0.231580 0.231580 0.768420 Cl\n0.231580 0.768420 0.768420 Cl\n0.231580 0.768420 0.231580 Cl\n0.768420 0.231580 0.768420 Cl\n0.768420 0.768420 0.231580 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-Rb",
"density": 2.9092179701805154,
"density_atomic": 0.02773769242777871,
"volume": 360.5202569044717,
"volume_molar": 21.7110373391009,
"formula_full": "Rb3 Dy1 Cl6",
"formula_reduced": "Rb3DyCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85235",
"created_at": "2022-09-04T14:37:10.293965Z",
"updated_at": "2022-09-04T14:37:10.293977Z",
"structure_string": "Li4 U2 I12\n1.0\n7.364740 -0.000000 0.000000\n-3.682370 6.378052 -0.000000\n0.000000 0.000000 13.816631\nLi U I\n4 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.250000 U\n-0.001804 0.331415 0.124762 I\n0.001803 0.668584 0.875238 I\n0.668584 0.666781 0.124762 I\n0.331415 0.333219 0.875238 I\n-0.001804 0.666781 0.375238 I\n0.666781 0.668584 0.624762 I\n0.666781 -0.001804 0.875238 I\n0.668585 0.001804 0.375238 I\n0.001803 0.333219 0.624762 I\n0.333219 0.001804 0.124762 I\n0.333219 0.331415 0.375238 I\n0.331415 -0.001804 0.624762 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.185440700851924,
"density_atomic": 0.0277347893012524,
"volume": 649.0043895587548,
"volume_molar": 21.713309932114974,
"formula_full": "Li4 U2 I12",
"formula_reduced": "Li2UI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5976292944444446,
"spacegroup": 163
},
{
"id": "jvasp-118575",
"created_at": "2022-09-04T14:38:35.093726Z",
"updated_at": "2022-09-04T14:38:35.093754Z",
"structure_string": "K2 Se2\n1.0\n4.670766 0.000000 0.000000\n0.000000 4.670766 0.000000\n0.000000 0.000000 6.611166\nK Se\n2 2\ndirect\n-0.000000 0.000000 0.250337 K\n0.500001 0.500001 0.749666 K\n-0.000000 0.000000 0.750542 Se\n0.500001 0.500001 0.249457 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 2.71844991541823,
"density_atomic": 0.027733565611763177,
"volume": 144.22956124701838,
"volume_molar": 21.714267989564643,
"formula_full": "K2 Se2",
"formula_reduced": "KSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2813183416666666,
"spacegroup": 225
},
{
"id": "jvasp-108844",
"created_at": "2022-09-04T14:38:15.130392Z",
"updated_at": "2022-09-04T14:38:15.130419Z",
"structure_string": "K2 Rb1 Tb1 Cl6\n1.0\n6.918985 -0.000000 3.994678\n2.306328 6.523281 3.994678\n-0.000000 -0.000000 7.989355\nTb K Rb Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Rb\n0.767427 0.232572 0.232573 Cl\n0.232572 0.232572 0.767428 Cl\n0.232572 0.767428 0.767429 Cl\n0.232572 0.767428 0.232573 Cl\n0.767427 0.232572 0.767429 Cl\n0.767428 0.767428 0.232573 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"K",
"Rb",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.4650880336807393,
"density_atomic": 0.02773191146540879,
"volume": 360.59541054259574,
"volume_molar": 21.715563196974994,
"formula_full": "K2 Rb1 Tb1 Cl6",
"formula_reduced": "K2RbTbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99567",
"created_at": "2022-09-04T14:36:09.505492Z",
"updated_at": "2022-09-04T14:36:09.505526Z",
"structure_string": "K2 Cu1 Mo1 I6\n1.0\n6.919739 -0.000000 3.995113\n2.306580 6.523992 3.995113\n-0.000000 -0.000000 7.990226\nK Cu Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Mo\n0.748982 0.748981 0.251018 I\n0.748982 0.251019 0.251018 I\n0.251019 0.251019 0.748982 I\n0.748982 0.251019 0.748981 I\n0.251019 0.748981 0.251018 I\n0.251019 0.748981 0.748981 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Mo",
"I"
],
"chemical_system": "Cu-I-K-Mo",
"density": 4.5993870073404475,
"density_atomic": 0.02772284538913788,
"volume": 360.7133344226676,
"volume_molar": 21.722664739022576,
"formula_full": "K2 Cu1 Mo1 I6",
"formula_reduced": "K2CuMoI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.154129,
"spacegroup": 225
},
{
"id": "jvasp-56834",
"created_at": "2022-09-04T14:37:32.336724Z",
"updated_at": "2022-09-04T14:37:32.336740Z",
"structure_string": "Ho7 Fe1 I12\n1.0\n9.110114 0.012870 -2.774745\n-3.749135 8.302910 -2.774744\n0.008298 0.012870 9.523304\nHo Fe I\n7 1 12\ndirect\n0.208590 0.476719 0.407350 Ho\n0.592649 0.791410 0.523280 Ho\n0.523280 0.592649 0.791409 Ho\n0.407350 0.208590 0.476719 Ho\n0.000000 0.000000 0.000000 Ho\n0.476719 0.407351 0.208590 Ho\n0.791409 0.523281 0.592649 Ho\n0.500000 0.500000 0.500000 Fe\n0.573675 0.731276 0.178005 I\n0.178005 0.573675 0.731276 I\n0.889253 0.657317 0.968885 I\n0.426324 0.268724 0.821994 I\n0.968885 0.889253 0.657316 I\n0.268724 0.821994 0.426324 I\n0.731276 0.178006 0.573675 I\n0.110747 0.342683 0.031115 I\n0.031115 0.110747 0.342683 I\n0.342683 0.031115 0.110747 I\n0.821994 0.426325 0.268724 I\n0.657316 0.968885 0.889253 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"I"
],
"chemical_system": "Fe-Ho-I",
"density": 6.290888477890748,
"density_atomic": 0.027721692614082045,
"volume": 721.4566685527858,
"volume_molar": 21.723568051327703,
"formula_full": "Ho7 Fe1 I12",
"formula_reduced": "Ho7FeI12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 0.5326834883333335,
"spacegroup": 148
},
{
"id": "jvasp-65797",
"created_at": "2022-09-04T14:35:57.602631Z",
"updated_at": "2022-09-04T14:35:57.602669Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n5.906909 0.000000 0.000000\n0.000000 5.906909 0.000000\n-0.000000 0.000000 4.135943\nBa Sr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tl"
],
"chemical_system": "Ba-Sr-Tl",
"density": 7.292006037191537,
"density_atomic": 0.02771819117905173,
"volume": 144.30956097247196,
"volume_molar": 21.72631222975071,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0033625,
"spacegroup": 123
},
{
"id": "jvasp-10485",
"created_at": "2022-09-04T14:37:10.612164Z",
"updated_at": "2022-09-04T14:37:10.612183Z",
"structure_string": "Rb4 Sn2 Se6\n1.0\n7.129781 -0.049723 -0.046821\n3.130909 7.198435 0.055557\n2.744018 1.388785 8.406781\nRb Sn Se\n4 2 6\ndirect\n0.640348 0.467196 0.686653 Rb\n0.359652 0.532804 0.313348 Rb\n0.905159 0.797762 0.877980 Rb\n0.094841 0.202238 0.122020 Rb\n0.643753 0.937392 0.308522 Sn\n0.356246 0.062609 0.691478 Sn\n0.268233 0.946672 0.475723 Se\n0.731766 0.053328 0.524278 Se\n0.374573 0.808818 0.932411 Se\n0.625427 0.191182 0.067589 Se\n0.149438 0.398130 0.717553 Se\n0.850562 0.601870 0.282448 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Se"
],
"chemical_system": "Rb-Se-Sn",
"density": 4.039011789857415,
"density_atomic": 0.02771773779458387,
"volume": 432.9357644167063,
"volume_molar": 21.726667611296705,
"formula_full": "Rb4 Sn2 Se6",
"formula_reduced": "Rb2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3450403,
"spacegroup": 2
},
{
"id": "jvasp-66474",
"created_at": "2022-09-04T14:36:16.433008Z",
"updated_at": "2022-09-04T14:36:16.433029Z",
"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ir"
],
"chemical_system": "Ba-Hg-Ir",
"density": 7.226907376081732,
"density_atomic": 0.027717287269571036,
"volume": 216.47140074155095,
"volume_molar": 21.727020762999807,
"formula_full": "Ba4 Hg1 Ir1",
"formula_reduced": "Ba4HgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4840815966666665,
"spacegroup": 216
}
]
}