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=chemical_system&page=672",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=670",
"results": [
{
"id": "jvasp-25077",
"created_at": "2022-09-04T14:37:56.607603Z",
"updated_at": "2022-09-04T14:37:56.607628Z",
"structure_string": "Ba1\n1.0\n3.798186 0.000000 2.192884\n1.266062 3.580964 2.192884\n-0.000000 0.000000 4.385768\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.822814213229751,
"density_atomic": 0.016764019675194215,
"volume": 59.65156444427848,
"volume_molar": 35.923011763765615,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.0207199999999999,
"spacegroup": 225
},
{
"id": "jvasp-21194",
"created_at": "2022-09-04T14:38:01.808389Z",
"updated_at": "2022-09-04T14:38:01.808416Z",
"structure_string": "Ba1\n1.0\n4.013664 -0.000000 -1.419044\n-2.006832 3.475935 -1.419044\n-0.000000 -0.000000 4.257134\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.839503342504838,
"density_atomic": 0.016837205782581067,
"volume": 59.39227760906445,
"volume_molar": 35.766865581878236,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-78405",
"created_at": "2022-09-04T14:37:14.145383Z",
"updated_at": "2022-09-04T14:37:14.145411Z",
"structure_string": "Ba2\n1.0\n0.000000 4.374004 0.000000\n0.000000 -2.187002 3.793870\n7.140421 0.000000 0.000000\nBa\n2\ndirect\n0.833820 0.167641 0.750000 Ba\n0.166180 0.832359 0.250000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.8490148444453167,
"density_atomic": 0.016878916155300468,
"volume": 118.49102048960307,
"volume_molar": 35.67848020922169,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.0148899999999999,
"spacegroup": 194
},
{
"id": "jvasp-14788",
"created_at": "2022-09-04T14:38:32.532623Z",
"updated_at": "2022-09-04T14:38:32.532642Z",
"structure_string": "Ba2\n1.0\n2.188788 -3.791090 -0.000000\n2.188788 3.791090 -0.000000\n0.000000 -0.000000 7.140938\nBa\n2\ndirect\n0.333334 0.666668 0.250000 Ba\n0.666668 0.333334 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.8484156677878256,
"density_atomic": 0.0168762886121569,
"volume": 118.50946887453038,
"volume_molar": 35.68403514776304,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.01488,
"spacegroup": 194
},
{
"id": "jvasp-25242",
"created_at": "2022-09-04T14:38:16.490606Z",
"updated_at": "2022-09-04T14:38:16.490622Z",
"structure_string": "Ba2\n1.0\n4.377573 0.000000 -0.000000\n-2.188787 3.791090 -0.000000\n-0.000000 0.000000 7.140938\nBa\n2\ndirect\n0.333332 0.666667 0.250000 Ba\n0.666666 0.333333 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.848418305150356,
"density_atomic": 0.016876300177667253,
"volume": 118.50938765871445,
"volume_molar": 35.684010693109265,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.01488,
"spacegroup": 194
},
{
"id": "jvasp-80724",
"created_at": "2022-09-04T14:36:49.548138Z",
"updated_at": "2022-09-04T14:36:49.548153Z",
"structure_string": "Ba4\n1.0\n-3.848392 -4.159773 0.000000\n-3.848392 4.159773 0.000000\n0.000000 0.000000 -7.206057\nBa\n4\ndirect\n0.374948 0.125052 0.250000 Ba\n0.625052 0.874948 0.750000 Ba\n0.874954 0.625045 0.250000 Ba\n0.125046 0.374954 0.750000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.9535605805341154,
"density_atomic": 0.017337375991168236,
"volume": 230.71542095168402,
"volume_molar": 34.73501851184236,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.1697199999999999,
"spacegroup": 191
},
{
"id": "jvasp-64162",
"created_at": "2022-09-04T14:36:12.222326Z",
"updated_at": "2022-09-04T14:36:12.222359Z",
"structure_string": "Ba4 Be1 Bi1\n1.0\n-0.000000 5.006229 5.006229\n5.006229 0.000000 5.006229\n5.006229 5.006229 -0.000000\nBa Be Bi\n4 1 1\ndirect\n0.122115 0.625962 0.625962 Ba\n0.625962 0.625962 0.625962 Ba\n0.625962 0.122115 0.625962 Ba\n0.625962 0.625962 0.122115 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Bi"
],
"chemical_system": "Ba-Be-Bi",
"density": 5.077529957415216,
"density_atomic": 0.023910525427364944,
"volume": 250.93551449660592,
"volume_molar": 25.186149833026356,
"formula_full": "Ba4 Be1 Bi1",
"formula_reduced": "Ba4BeBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4063823799999999,
"spacegroup": 216
},
{
"id": "jvasp-64050",
"created_at": "2022-09-04T14:38:11.095969Z",
"updated_at": "2022-09-04T14:38:11.095995Z",
"structure_string": "Ba2 Be1 Bi1\n1.0\n0.000000 4.179324 4.179324\n4.179324 -0.000000 4.179324\n4.179324 4.179324 0.000000\nBa Be Bi\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Bi"
],
"chemical_system": "Ba-Be-Bi",
"density": 5.603204240190059,
"density_atomic": 0.027397559131437835,
"volume": 145.99840740594027,
"volume_molar": 21.98057400335997,
"formula_full": "Ba2 Be1 Bi1",
"formula_reduced": "Ba2BeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5126205850000001,
"spacegroup": 225
},
{
"id": "jvasp-66608",
"created_at": "2022-09-04T14:35:42.763165Z",
"updated_at": "2022-09-04T14:35:42.763192Z",
"structure_string": "Ba1 Be1 Bi1\n1.0\n0.000000 3.877161 3.877161\n3.877161 0.000000 3.877161\n3.877161 3.877161 0.000000\nBa Be Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Bi"
],
"chemical_system": "Ba-Be-Bi",
"density": 5.061703917296957,
"density_atomic": 0.02573651582698843,
"volume": 116.56589493959666,
"volume_molar": 23.39920757138743,
"formula_full": "Ba1 Be1 Bi1",
"formula_reduced": "BaBeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9014254566666666,
"spacegroup": 216
},
{
"id": "jvasp-65644",
"created_at": "2022-09-04T14:36:06.363956Z",
"updated_at": "2022-09-04T14:36:06.363977Z",
"structure_string": "Ba1 Be2 Br1\n1.0\n4.268271 0.000000 -0.000000\n0.000000 4.268271 0.000000\n-0.000000 0.000000 6.336445\nBa Be Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.832572 Be\n0.000000 0.000000 0.167428 Be\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Br"
],
"chemical_system": "Ba-Be-Br",
"density": 3.384067295774066,
"density_atomic": 0.03465056737836021,
"volume": 115.4382251904498,
"volume_molar": 17.379631029536664,
"formula_full": "Ba1 Be2 Br1",
"formula_reduced": "BaBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92639806875,
"spacegroup": 123
},
{
"id": "jvasp-65595",
"created_at": "2022-09-04T14:36:18.697733Z",
"updated_at": "2022-09-04T14:36:18.697759Z",
"structure_string": "Ba1 Be2 Br1\n1.0\n4.268106 -0.000000 0.000000\n-0.000000 4.267351 0.000000\n0.000000 0.000000 6.336690\nBa Be Br\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Ba\n0.000000 0.000000 0.832574 Be\n0.000000 0.000000 0.167426 Be\n0.500001 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Br"
],
"chemical_system": "Ba-Be-Br",
"density": 3.384796846673919,
"density_atomic": 0.03465803748767005,
"volume": 115.4133439154782,
"volume_molar": 17.37588506603248,
"formula_full": "Ba1 Be2 Br1",
"formula_reduced": "BaBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92646806875,
"spacegroup": 123
},
{
"id": "jvasp-69021",
"created_at": "2022-09-04T14:36:10.271510Z",
"updated_at": "2022-09-04T14:36:10.271539Z",
"structure_string": "Ba1 Be2 Br1\n1.0\n4.266642 0.000000 0.000000\n0.000000 4.266642 0.000000\n0.000000 0.000000 6.337329\nBa Be Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.832581 Be\n0.000000 0.000000 0.167420 Be\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Br"
],
"chemical_system": "Ba-Be-Br",
"density": 3.3861794493851556,
"density_atomic": 0.034672194407203843,
"volume": 115.36621977318285,
"volume_molar": 17.36879036058006,
"formula_full": "Ba1 Be2 Br1",
"formula_reduced": "BaBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92641306875,
"spacegroup": 123
}
]
}