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=energy_above_hull&page=975",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=973",
"results": [
{
"id": "jvasp-57560",
"created_at": "2022-09-04T14:37:13.694926Z",
"updated_at": "2022-09-04T14:37:13.694952Z",
"structure_string": "Ag4 S2\n1.0\n0.000000 4.224909 0.227080\n7.372892 0.000000 0.000000\n0.000000 -1.318922 -4.023357\nAg S\n4 2\ndirect\n0.500022 0.541643 0.499977 Ag\n0.884043 0.291698 0.115700 Ag\n0.115958 0.791698 0.884301 Ag\n0.499979 0.041643 0.500024 Ag\n0.274638 0.291657 0.724828 S\n0.725362 0.791657 0.275173 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.684351616158841,
"density_atomic": 0.04873350957954998,
"volume": 123.11856978422456,
"volume_molar": 12.35728929017472,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3909008333333333,
"spacegroup": 63
},
{
"id": "jvasp-59144",
"created_at": "2022-09-04T14:38:32.436114Z",
"updated_at": "2022-09-04T14:38:32.436133Z",
"structure_string": "Sr8 Bi12\n1.0\n6.653830 -0.000000 0.000000\n-0.000000 6.867713 0.000000\n0.000000 0.000000 15.648182\nSr Bi\n8 12\ndirect\n0.940099 0.000000 0.250000 Sr\n0.559901 0.500000 0.250000 Sr\n0.059901 0.000000 0.750000 Sr\n0.440099 0.500000 0.750000 Sr\n0.750000 0.750000 0.000133 Sr\n0.750000 0.250000 0.499867 Sr\n0.250000 0.250000 0.999867 Sr\n0.250000 0.750000 0.500133 Sr\n0.578900 0.936149 0.653512 Bi\n0.578900 0.063851 0.846487 Bi\n0.078900 0.563850 0.153513 Bi\n0.078900 0.436149 0.346487 Bi\n0.421100 0.063851 0.346487 Bi\n0.750000 0.250000 0.069546 Bi\n0.250000 0.750000 0.930454 Bi\n0.250000 0.250000 0.569546 Bi\n0.921100 0.563850 0.653512 Bi\n0.750000 0.750000 0.430454 Bi\n0.421100 0.936149 0.153513 Bi\n0.921100 0.436149 0.846487 Bi\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 7.4513307470498935,
"density_atomic": 0.027969343225419364,
"volume": 715.0686320665338,
"volume_molar": 21.531219776826582,
"formula_full": "Sr8 Bi12",
"formula_reduced": "Sr2Bi3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3909217199999999,
"spacegroup": 52
},
{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.286422219800646,
"density_atomic": 0.023398868650942296,
"volume": 128.21132699846098,
"volume_molar": 25.736888607037347,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3909888383333332,
"spacegroup": 99
},
{
"id": "jvasp-79414",
"created_at": "2022-09-04T14:37:02.802653Z",
"updated_at": "2022-09-04T14:37:02.802670Z",
"structure_string": "Lu2 Mg1 Hg1\n1.0\n0.000022 3.642311 3.642271\n3.642342 0.000024 3.642269\n3.642354 3.642321 0.000011\nLu Mg Hg\n2 1 1\ndirect\n0.000003 0.999998 0.000000 Lu\n0.499995 0.500005 0.499997 Lu\n0.750003 0.749994 0.749997 Mg\n0.249997 0.250002 0.250001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"Hg"
],
"chemical_system": "Hg-Lu-Mg",
"density": 9.87711191424814,
"density_atomic": 0.04139064540615093,
"volume": 96.64019395565099,
"volume_molar": 14.549521276865786,
"formula_full": "Lu2 Mg1 Hg1",
"formula_reduced": "Lu2MgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3910745375,
"spacegroup": 225
},
{
"id": "jvasp-25148",
"created_at": "2022-09-04T14:37:44.905592Z",
"updated_at": "2022-09-04T14:37:44.905619Z",
"structure_string": "Si34\n1.0\n9.092536 0.000000 5.249579\n3.030846 8.572525 5.249579\n0.000000 0.000000 10.499156\nSi\n34\ndirect\n0.875001 0.875000 0.875000 Si\n0.739186 0.504410 0.128203 Si\n0.871797 0.260814 0.871797 Si\n0.260815 0.871797 0.871797 Si\n0.871798 0.871797 0.260814 Si\n0.871798 0.871797 0.495591 Si\n0.871797 0.495591 0.260814 Si\n0.495591 0.871797 0.260814 Si\n0.128203 0.504410 0.128203 Si\n0.128203 0.739186 0.504409 Si\n0.739186 0.128203 0.504409 Si\n0.504410 0.128203 0.128203 Si\n0.128203 0.504410 0.739186 Si\n0.504410 0.128203 0.739186 Si\n0.128203 0.739186 0.128203 Si\n0.739186 0.128203 0.128203 Si\n0.495591 0.260814 0.871797 Si\n0.260815 0.495591 0.871797 Si\n0.125000 0.125000 0.125000 Si\n0.762719 0.762718 0.762718 Si\n0.237282 0.237282 0.788154 Si\n0.788154 0.237282 0.237282 Si\n0.237282 0.788154 0.237282 Si\n0.211846 0.762718 0.762718 Si\n0.504410 0.739186 0.128203 Si\n0.762718 0.211846 0.762718 Si\n0.237282 0.237282 0.237282 Si\n0.128203 0.128203 0.739186 Si\n0.871797 0.260814 0.495591 Si\n0.495591 0.871797 0.871797 Si\n0.871797 0.495591 0.871797 Si\n0.260815 0.871797 0.495591 Si\n0.762719 0.762718 0.211846 Si\n0.128203 0.128203 0.504409 Si\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.9375904989619686,
"density_atomic": 0.04154614560545468,
"volume": 818.3671314033057,
"volume_molar": 14.495064878435658,
"formula_full": "Si34",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.3911500000000001,
"spacegroup": 227
},
{
"id": "jvasp-64585",
"created_at": "2022-09-04T14:35:45.560419Z",
"updated_at": "2022-09-04T14:35:45.560433Z",
"structure_string": "Ba4 La1 Ge1\n1.0\n-0.000000 5.085742 5.085742\n5.085742 -0.000000 5.085742\n5.085742 5.085742 0.000000\nBa La Ge\n4 1 1\ndirect\n0.129581 0.623473 0.623473 Ba\n0.623473 0.623473 0.623473 Ba\n0.623473 0.129581 0.623473 Ba\n0.623473 0.623473 0.129581 Ba\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Ge"
],
"chemical_system": "Ba-Ge-La",
"density": 4.802386987524653,
"density_atomic": 0.022806481068839854,
"volume": 263.0831114142246,
"volume_molar": 26.405392141920387,
"formula_full": "Ba4 La1 Ge1",
"formula_reduced": "Ba4LaGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3912741383333332,
"spacegroup": 216
},
{
"id": "jvasp-115391",
"created_at": "2022-09-04T14:38:46.356912Z",
"updated_at": "2022-09-04T14:38:46.356935Z",
"structure_string": "Pb1 S1\n1.0\n4.116381 0.870059 0.495369\n-1.344143 -4.015695 0.111326\n-1.832228 0.508367 -3.785128\nPb S\n1 1\ndirect\n0.637140 0.821554 0.066963 Pb\n0.636548 0.321273 0.566488 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.39202350601401,
"density_atomic": 0.03721046209836691,
"volume": 53.74832472418492,
"volume_molar": 16.183998855161487,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.39141541,
"spacegroup": 225
},
{
"id": "jvasp-64504",
"created_at": "2022-09-04T14:36:15.461795Z",
"updated_at": "2022-09-04T14:36:15.461821Z",
"structure_string": "Ba4 Be1 Te1\n1.0\n-0.000000 4.995906 4.995906\n4.995906 -0.000000 4.995906\n4.995906 4.995906 -0.000000\nBa Be Te\n4 1 1\ndirect\n0.122380 0.625874 0.625874 Ba\n0.625874 0.625874 0.625874 Ba\n0.625874 0.122380 0.625874 Ba\n0.625874 0.625874 0.122380 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Te"
],
"chemical_system": "Ba-Be-Te",
"density": 4.5671987185527065,
"density_atomic": 0.024059050274325578,
"volume": 249.38640268784224,
"volume_molar": 25.03066701027047,
"formula_full": "Ba4 Be1 Te1",
"formula_reduced": "Ba4BeTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3914479577777777,
"spacegroup": 216
},
{
"id": "jvasp-13787",
"created_at": "2022-09-04T14:38:02.093235Z",
"updated_at": "2022-09-04T14:38:02.093259Z",
"structure_string": "Al2 Cl2 O2\n1.0\n3.172071 0.000000 0.000000\n0.000000 3.640084 0.000000\n0.000000 0.000000 7.808628\nAl Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.107098 Al\n0.000000 0.499999 0.892902 Al\n0.000000 0.000000 0.322123 Cl\n0.500000 0.499999 0.677878 Cl\n0.500000 0.499999 0.049663 O\n0.000000 0.000000 0.950337 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O",
"density": 2.8890434804993834,
"density_atomic": 0.06654603919382951,
"volume": 90.16314227994431,
"volume_molar": 9.0495855695622,
"formula_full": "Al2 Cl2 O2",
"formula_reduced": "AlClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3915567891666667,
"spacegroup": 59
},
{
"id": "jvasp-115158",
"created_at": "2022-09-04T14:38:43.480086Z",
"updated_at": "2022-09-04T14:38:43.480122Z",
"structure_string": "K2 Te1\n1.0\n12.392498 -0.000000 0.000000\n0.000000 12.392498 0.000000\n-0.000000 -0.000000 14.765665\nK Te\n2 1\ndirect\n0.000000 0.000000 0.205439 K\n0.000000 0.000000 0.794561 K\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Te"
],
"chemical_system": "K-Te",
"density": 0.15070115016374924,
"density_atomic": 0.0013229716224081776,
"volume": 2267.6223353447012,
"volume_molar": 455.19802979885714,
"formula_full": "K2 Te1",
"formula_reduced": "K2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3916666666666667,
"spacegroup": 123
},
{
"id": "jvasp-94762",
"created_at": "2022-09-04T14:36:14.453962Z",
"updated_at": "2022-09-04T14:36:14.453980Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.174605 -0.029192 0.000000\n-3.112583 5.332768 0.000000\n0.000000 0.000000 4.801894\nMg Al Mo\n6 1 1\ndirect\n0.176628 0.847613 0.250000 Mg\n0.652388 0.323372 0.250000 Mg\n0.668914 0.831087 0.250000 Mg\n0.327166 0.666338 0.749999 Mg\n0.833663 0.172835 0.749999 Mg\n0.831786 0.668215 0.749999 Mg\n0.187677 0.312324 0.250000 Al\n0.321781 0.178219 0.749999 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Mo"
],
"chemical_system": "Al-Mg-Mo",
"density": 2.8302557980766303,
"density_atomic": 0.0507359292452846,
"volume": 157.67918552006262,
"volume_molar": 11.869578126549635,
"formula_full": "Mg6 Al1 Mo1",
"formula_reduced": "Mg6AlMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3917241249999999,
"spacegroup": 38
},
{
"id": "jvasp-14067",
"created_at": "2022-09-04T14:37:43.029339Z",
"updated_at": "2022-09-04T14:37:43.029363Z",
"structure_string": "Yb2 Ag2 S4\n1.0\n5.102032 -0.000000 -2.108299\n-0.871207 5.027099 -2.108299\n-0.249792 -0.296805 6.623054\nYb Ag S\n2 2 4\ndirect\n0.625000 0.375000 0.250000 Yb\n0.375000 0.625001 0.750000 Yb\n0.875000 0.125001 0.750000 Ag\n0.125000 0.875000 0.250000 Ag\n0.116008 0.366008 0.232015 S\n0.366008 0.116008 0.732015 S\n0.633992 0.883993 0.267984 S\n0.883992 0.633993 0.767984 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"S"
],
"chemical_system": "Ag-S-Yb",
"density": 7.0091710149613915,
"density_atomic": 0.04893396090936773,
"volume": 163.48564169610293,
"volume_molar": 12.306669331660713,
"formula_full": "Yb2 Ag2 S4",
"formula_reduced": "YbAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.39172699,
"spacegroup": 141
}
]
}