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=4439",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4437",
"results": [
{
"id": "jvasp-122560",
"created_at": "2022-09-04T14:38:51.301503Z",
"updated_at": "2022-09-04T14:38:51.301530Z",
"structure_string": "Er1 Sn7\n1.0\n6.744492 0.000000 -0.000000\n-0.000000 6.744492 0.000000\n-0.000000 0.000000 6.744492\nEr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.256348 0.256348 0.756348 Sn\n0.000000 0.500000 0.000000 Sn\n0.256348 0.743652 0.243652 Sn\n0.500000 0.000000 0.000000 Sn\n0.743652 0.256348 0.243652 Sn\n0.500000 0.500000 0.500000 Sn\n0.743652 0.743652 0.756348 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Sn"
],
"chemical_system": "Er-Sn",
"density": 5.402957463903964,
"density_atomic": 0.02607607703576355,
"volume": 306.794614428694,
"volume_molar": 23.094504406244027,
"formula_full": "Er1 Sn7",
"formula_reduced": "ErSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.6393377375000001,
"spacegroup": 215
},
{
"id": "jvasp-54996",
"created_at": "2022-09-04T14:37:29.778854Z",
"updated_at": "2022-09-04T14:37:29.778882Z",
"structure_string": "Rb4 In6\n1.0\n6.482341 -0.000000 -2.573450\n-1.021643 6.401327 -2.573450\n-0.060361 -0.070758 9.298962\nRb In\n4 6\ndirect\n0.609541 0.609541 0.219081 Rb\n0.390460 0.390460 0.780919 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.704266 0.000000 In\n0.848877 0.848877 0.697752 In\n0.151124 0.151124 0.302248 In\n0.704266 0.000000 -0.000000 In\n0.000000 0.295734 0.000000 In\n0.295734 0.000000 -0.000000 In\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"In"
],
"chemical_system": "In-Rb",
"density": 4.463171875691028,
"density_atomic": 0.026075273230943163,
"volume": 383.5050897235907,
"volume_molar": 23.095216324918923,
"formula_full": "Rb4 In6",
"formula_reduced": "Rb2In3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-69046",
"created_at": "2022-09-04T14:35:51.096837Z",
"updated_at": "2022-09-04T14:35:51.096864Z",
"structure_string": "Ba2 In1 Te1\n1.0\n0.000000 4.248870 4.248870\n4.248870 0.000000 4.248870\n4.248870 4.248870 0.000000\nBa In 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 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Te"
],
"chemical_system": "Ba-In-Te",
"density": 5.596928930919193,
"density_atomic": 0.02607412032162608,
"volume": 153.4088188080642,
"volume_molar": 23.09623751718745,
"formula_full": "Ba2 In1 Te1",
"formula_reduced": "Ba2InTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117565",
"created_at": "2022-09-04T14:38:35.858319Z",
"updated_at": "2022-09-04T14:38:35.858331Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n0.000000 3.860439 3.860439\n3.860439 0.000000 3.860439\n3.860439 3.860439 -0.000000\nBa Si Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 2.8987740757473253,
"density_atomic": 0.02607240992846756,
"volume": 115.06416200998757,
"volume_molar": 23.097752668519654,
"formula_full": "Ba1 Si1 Cl1",
"formula_reduced": "BaSiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7080728791666665,
"spacegroup": 216
},
{
"id": "jvasp-66621",
"created_at": "2022-09-04T14:36:07.847161Z",
"updated_at": "2022-09-04T14:36:07.847177Z",
"structure_string": "Ba4 V1 Si1\n1.0\n-0.000000 4.863997 4.863997\n4.863997 0.000000 4.863997\n4.863997 4.863997 0.000000\nBa V Si\n4 1 1\ndirect\n0.126728 0.624424 0.624424 Ba\n0.624424 0.624424 0.624424 Ba\n0.624424 0.126728 0.624424 Ba\n0.624424 0.624424 0.126728 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Si"
],
"chemical_system": "Ba-Si-V",
"density": 4.533466996114211,
"density_atomic": 0.026070019710042115,
"volume": 230.1494232353347,
"volume_molar": 23.09987037593334,
"formula_full": "Ba4 V1 Si1",
"formula_reduced": "Ba4VSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3977561133333332,
"spacegroup": 216
},
{
"id": "jvasp-66305",
"created_at": "2022-09-04T14:36:04.967681Z",
"updated_at": "2022-09-04T14:36:04.967719Z",
"structure_string": "Ba4 Si1 Ge1\n1.0\n-0.000000 4.864083 4.864083\n4.864083 -0.000000 4.864083\n4.864083 4.864083 0.000000\nBa Si Ge\n4 1 1\ndirect\n0.124676 0.625108 0.625108 Ba\n0.625108 0.625108 0.625108 Ba\n0.625108 0.124676 0.625108 Ba\n0.625108 0.625108 0.124676 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Ge"
],
"chemical_system": "Ba-Ge-Si",
"density": 4.6897739454961975,
"density_atomic": 0.02606863693220611,
"volume": 230.16163122005773,
"volume_molar": 23.101095679306635,
"formula_full": "Ba4 Si1 Ge1",
"formula_reduced": "Ba4SiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6304147383333333,
"spacegroup": 216
},
{
"id": "jvasp-36924",
"created_at": "2022-09-04T14:38:07.611852Z",
"updated_at": "2022-09-04T14:38:07.611875Z",
"structure_string": "Rb1 Tl1 Br3\n1.0\n5.769630 -0.005088 -0.008659\n-0.011231 5.766023 0.003272\n-0.009355 0.002510 5.766015\nRb Tl Br\n1 1 3\ndirect\n-0.015469 0.010341 0.009176 Rb\n0.514115 0.501351 0.499307 Tl\n0.522611 0.499477 -0.001438 Br\n0.016365 0.498145 0.495910 Br\n0.522378 0.000683 0.497044 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-Rb-Tl",
"density": 4.584253461983837,
"density_atomic": 0.026065845257273755,
"volume": 191.8219014441795,
"volume_molar": 23.103569826953926,
"formula_full": "Rb1 Tl1 Br3",
"formula_reduced": "RbTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0053520000000003,
"spacegroup": 8
},
{
"id": "jvasp-64082",
"created_at": "2022-09-04T14:36:13.667558Z",
"updated_at": "2022-09-04T14:36:13.667592Z",
"structure_string": "Ba4 Mn1 Co1\n1.0\n0.000000 4.864458 4.864458\n4.864458 0.000000 4.864458\n4.864458 4.864458 0.000000\nBa Mn Co\n4 1 1\ndirect\n0.124962 0.625013 0.625013 Ba\n0.625013 0.625013 0.625013 Ba\n0.625013 0.124962 0.625013 Ba\n0.625013 0.625013 0.124962 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Co"
],
"chemical_system": "Ba-Co-Mn",
"density": 4.783509606152833,
"density_atomic": 0.026062608520453327,
"volume": 230.2148687569527,
"volume_molar": 23.106439078321593,
"formula_full": "Ba4 Mn1 Co1",
"formula_reduced": "Ba4MnCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4666603368965516,
"spacegroup": 216
},
{
"id": "jvasp-77542",
"created_at": "2022-09-04T14:37:08.511079Z",
"updated_at": "2022-09-04T14:37:08.511103Z",
"structure_string": "Ba2 Ag1 Au1\n1.0\n-12.858817 3.958531 -0.959787\n-10.127132 2.215196 2.532407\n-8.752488 6.103278 0.151453\nBa Ag Au\n2 1 1\ndirect\n0.767601 0.985922 0.985924 Ba\n0.232400 0.014077 0.014077 Ba\n0.000000 0.000000 0.000000 Ag\n0.500001 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ba",
"density": 6.269751148820474,
"density_atomic": 0.02606250611315418,
"volume": 153.4771822261994,
"volume_molar": 23.106529870358575,
"formula_full": "Ba2 Ag1 Au1",
"formula_reduced": "Ba2AgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00841,
"spacegroup": 166
},
{
"id": "jvasp-69297",
"created_at": "2022-09-04T14:36:17.050737Z",
"updated_at": "2022-09-04T14:36:17.050758Z",
"structure_string": "Ba2 Na1 Sb1\n1.0\n0.000000 4.249678 4.249678\n4.249678 -0.000000 4.249678\n4.249678 4.249678 0.000000\nBa Na Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sb"
],
"chemical_system": "Ba-Na-Sb",
"density": 4.537152295981782,
"density_atomic": 0.026059250571170114,
"volume": 153.49635589387526,
"volume_molar": 23.10941653349931,
"formula_full": "Ba2 Na1 Sb1",
"formula_reduced": "Ba2NaSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00153550125,
"spacegroup": 225
},
{
"id": "jvasp-97915",
"created_at": "2022-09-04T14:35:41.052566Z",
"updated_at": "2022-09-04T14:35:41.052599Z",
"structure_string": "Ba14 Na14 Li1 N6\n1.0\n10.725912 0.000000 6.192608\n3.575304 10.112487 6.192608\n0.000000 0.000000 12.385216\nBa Na Li N\n14 14 1 6\ndirect\n0.315446 0.894851 0.894852 Ba\n0.105149 0.684554 0.105149 Ba\n0.105149 0.105149 0.684554 Ba\n0.684553 0.105149 0.105149 Ba\n0.105149 0.105149 0.105149 Ba\n0.706876 0.293124 0.293124 Ba\n0.894851 0.894851 0.315447 Ba\n0.706876 0.293124 0.706877 Ba\n0.894851 0.315447 0.894852 Ba\n0.293123 0.293124 0.706877 Ba\n0.293123 0.706877 0.293124 Ba\n0.293123 0.706877 0.706877 Ba\n0.894851 0.894851 0.894852 Ba\n0.706876 0.706877 0.293124 Ba\n-0.000000 0.500000 0.500000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.328950 0.328951 0.328951 Na\n0.013148 0.328951 0.328951 Na\n0.328951 0.013148 0.328951 Na\n0.986852 0.671050 0.671050 Na\n0.671049 0.671050 0.671050 Na\n0.500000 -0.000000 0.500000 Na\n0.328950 0.328951 0.013148 Na\n0.671049 0.986852 0.671050 Na\n0.671049 0.671050 0.986853 Na\n0.000000 0.000000 0.000000 Li\n0.149745 0.149745 0.850255 N\n0.850254 0.149745 0.149746 N\n0.850254 0.850255 0.149746 N\n0.850254 0.149745 0.850255 N\n0.149745 0.850255 0.850255 N\n0.149745 0.850255 0.149746 N\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Li",
"N"
],
"chemical_system": "Ba-Li-N-Na",
"density": 2.886805686751919,
"density_atomic": 0.026053870692881943,
"volume": 1343.3704501175016,
"volume_molar": 23.114188409806154,
"formula_full": "Ba14 Na14 Li1 N6",
"formula_reduced": "Ba14Na14LiN6",
"formula_anonymous": "AB6C14D14",
"energy_above_hull": 0.6668185451428571,
"spacegroup": 225
},
{
"id": "jvasp-110725",
"created_at": "2022-09-04T14:38:48.225742Z",
"updated_at": "2022-09-04T14:38:48.225768Z",
"structure_string": "Cu1 I2\n1.0\n5.233325 -0.000000 0.000000\n0.000000 5.233325 0.000000\n0.000000 -0.000000 4.204480\nCu I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 4.576428243962742,
"density_atomic": 0.026052748767081454,
"volume": 115.1509971873142,
"volume_molar": 23.115183790545675,
"formula_full": "Cu1 I2",
"formula_reduced": "CuI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0753366666666666,
"spacegroup": 123
}
]
}