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=formula_reduced&page=433",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=431",
"results": [
{
"id": "jvasp-65552",
"created_at": "2022-09-04T14:36:13.056027Z",
"updated_at": "2022-09-04T14:36:13.056062Z",
"structure_string": "Ba1 Si1 Bi2\n1.0\n4.284698 -0.000000 0.000000\n-0.000000 4.285164 0.000000\n0.000000 0.000000 7.029410\nBa Si Bi\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.287514 Bi\n0.000000 0.000000 0.712486 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Bi"
],
"chemical_system": "Ba-Bi-Si",
"density": 7.505663785703358,
"density_atomic": 0.030992274641544488,
"volume": 129.06442157808206,
"volume_molar": 19.43110284627979,
"formula_full": "Ba1 Si1 Bi2",
"formula_reduced": "BaSiBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1527857924999998,
"spacegroup": 123
},
{
"id": "jvasp-119943",
"created_at": "2022-09-04T14:38:54.334491Z",
"updated_at": "2022-09-04T14:38:54.334517Z",
"structure_string": "Ba1 Si1 C1\n1.0\n-2.385329 2.385329 3.983784\n2.385329 -2.385329 3.983784\n2.385329 2.385329 -3.983784\nBa Si C\n1 1 1\ndirect\n0.992207 0.992207 0.000000 Ba\n0.415829 0.415829 0.000000 Si\n0.629960 0.629960 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"C"
],
"chemical_system": "Ba-C-Si",
"density": 3.249429767039899,
"density_atomic": 0.03308787709884176,
"volume": 90.66764818541394,
"volume_molar": 18.200444658357377,
"formula_full": "Ba1 Si1 C1",
"formula_reduced": "BaSiC",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7856815233333325,
"spacegroup": 107
},
{
"id": "jvasp-36413",
"created_at": "2022-09-04T14:37:19.827688Z",
"updated_at": "2022-09-04T14:37:19.827714Z",
"structure_string": "Ba1 Si1 C1\n1.0\n4.775526 0.000000 0.000000\n0.000000 4.775526 0.000000\n-2.387763 -2.387763 3.986082\nBa Si C\n1 1 1\ndirect\n0.992232 0.992232 0.984463 Ba\n0.415620 0.415620 0.831239 Si\n0.630149 0.630149 0.260297 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"C"
],
"chemical_system": "Ba-C-Si",
"density": 3.2409389407426663,
"density_atomic": 0.033001417800708865,
"volume": 90.90518528981384,
"volume_molar": 18.248127387638014,
"formula_full": "Ba1 Si1 C1",
"formula_reduced": "BaSiC",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7917115233333325,
"spacegroup": 107
},
{
"id": "jvasp-119942",
"created_at": "2022-09-04T14:38:53.233077Z",
"updated_at": "2022-09-04T14:38:53.233108Z",
"structure_string": "Ba1 Si1 C2\n1.0\n3.226706 0.000000 0.000000\n0.000000 3.226706 0.000000\n0.000000 0.000000 6.343025\nBa Si C\n1 1 2\ndirect\n0.500001 0.500001 0.580396 Ba\n0.000000 0.000000 0.058694 Si\n0.000000 0.000000 0.341148 C\n0.500001 0.500001 0.029760 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"C"
],
"chemical_system": "Ba-C-Si",
"density": 4.763120641189031,
"density_atomic": 0.06056821501962307,
"volume": 66.04123959578581,
"volume_molar": 9.942741020267691,
"formula_full": "Ba1 Si1 C2",
"formula_reduced": "BaSiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.066331142499999,
"spacegroup": 99
},
{
"id": "jvasp-117563",
"created_at": "2022-09-04T14:38:51.712128Z",
"updated_at": "2022-09-04T14:38:51.712156Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n3.595099 -0.000000 0.000000\n0.000000 3.595099 -0.000000\n-0.000000 0.000000 8.228111\nBa Si Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.017178 Ba\n0.000000 0.000000 0.615322 Si\n0.000000 0.000000 0.351023 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 3.1364083200557342,
"density_atomic": 0.02820976084604576,
"volume": 106.34616919910961,
"volume_molar": 21.34772000679382,
"formula_full": "Ba1 Si1 Cl1",
"formula_reduced": "BaSiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8715128791666666,
"spacegroup": 99
},
{
"id": "jvasp-117562",
"created_at": "2022-09-04T14:38:50.287610Z",
"updated_at": "2022-09-04T14:38:50.287624Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n5.031846 1.742078 0.000000\n1.788826 5.976149 0.000000\n0.000000 0.000000 3.837480\nBa Si Cl\n1 1 1\ndirect\n0.119518 -0.213080 0.000000 Ba\n-0.151772 0.422037 0.000000 Si\n0.369410 0.162150 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 3.2245745196821893,
"density_atomic": 0.029002753069112822,
"volume": 103.43845609591187,
"volume_molar": 20.764031420222043,
"formula_full": "Ba1 Si1 Cl1",
"formula_reduced": "BaSiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7729928791666666,
"spacegroup": 38
},
{
"id": "jvasp-117564",
"created_at": "2022-09-04T14:38:51.280000Z",
"updated_at": "2022-09-04T14:38:51.280026Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n5.672453 -0.000000 -0.000000\n-2.836226 4.912488 0.000000\n-0.000000 0.000000 3.524362\nBa Si Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666665 0.333333 0.000000 Si\n0.333332 0.666666 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 3.3962646826566636,
"density_atomic": 0.03054698390352232,
"volume": 98.20936854109762,
"volume_molar": 19.71435471017352,
"formula_full": "Ba1 Si1 Cl1",
"formula_reduced": "BaSiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8261428791666665,
"spacegroup": 187
},
{
"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-66109",
"created_at": "2022-09-04T14:36:03.427365Z",
"updated_at": "2022-09-04T14:36:03.427392Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n0.000000 3.866860 3.866860\n3.866860 -0.000000 3.866860\n3.866860 3.866860 -0.000000\nBa Si Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 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": 2.8843576204315635,
"density_atomic": 0.025942744172225043,
"volume": 115.6392700819937,
"volume_molar": 23.21319872724743,
"formula_full": "Ba1 Si1 Cl1",
"formula_reduced": "BaSiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7138728791666665,
"spacegroup": 216
},
{
"id": "jvasp-68967",
"created_at": "2022-09-04T14:35:48.799858Z",
"updated_at": "2022-09-04T14:35:48.799876Z",
"structure_string": "Ba1 Si1 Cl2\n1.0\n4.946394 0.000000 -0.000000\n0.000000 4.946394 -0.000000\n0.000000 0.000000 4.264939\nBa Si Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 3.760595148717182,
"density_atomic": 0.03833273033600715,
"volume": 104.34946754217174,
"volume_molar": 15.710179544250236,
"formula_full": "Ba1 Si1 Cl2",
"formula_reduced": "BaSiCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.51230067625,
"spacegroup": 123
},
{
"id": "jvasp-21069",
"created_at": "2022-09-04T14:38:15.505511Z",
"updated_at": "2022-09-04T14:38:15.505533Z",
"structure_string": "Ba1 Si1 F6\n1.0\n4.747032 -0.002996 -0.666984\n-0.766838 4.684686 -0.666984\n-0.002547 -0.002996 4.793660\nBa Si F\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Si\n0.745588 0.745589 0.077483 F\n0.745587 0.077481 0.745589 F\n0.254411 0.922518 0.254412 F\n0.254410 0.254411 0.922518 F\n0.922517 0.254411 0.254412 F\n0.077482 0.745589 0.745589 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Si",
"F"
],
"chemical_system": "Ba-F-Si",
"density": 4.353438140131469,
"density_atomic": 0.07506583640271244,
"volume": 106.573114793282,
"volume_molar": 8.022478731459781,
"formula_full": "Ba1 Si1 F6",
"formula_reduced": "BaSiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-9439",
"created_at": "2022-09-04T14:37:09.548206Z",
"updated_at": "2022-09-04T14:37:09.548237Z",
"structure_string": "Ba4 Si4 N8\n1.0\n5.653605 -0.000000 -0.000000\n-2.826802 5.755638 0.000000\n-0.000000 -0.000000 7.643797\nBa Si N\n4 4 8\ndirect\n0.835039 0.670076 0.565381 Ba\n0.164963 0.329924 0.434619 Ba\n0.664963 0.329924 0.065381 Ba\n0.335038 0.670076 0.934619 Ba\n0.049423 0.098845 0.859208 Si\n0.450578 0.901155 0.359208 Si\n0.950579 0.901155 0.140792 Si\n0.549423 0.098845 0.640792 Si\n0.347653 0.195305 0.750000 N\n0.152348 0.804696 0.250000 N\n0.652349 0.804696 0.250000 N\n0.847653 0.195305 0.750000 N\n0.899131 0.798258 0.919441 N\n0.399130 0.798258 0.580559 N\n0.600871 0.201742 0.419441 N\n0.100871 0.201742 0.080559 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 5.165301026629577,
"density_atomic": 0.064326793590487,
"volume": 248.72994761495724,
"volume_molar": 9.361792223529367,
"formula_full": "Ba4 Si4 N8",
"formula_reduced": "BaSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9731227675,
"spacegroup": 64
}
]
}