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_full&page=331",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=329",
"results": [
{
"id": "jvasp-65751",
"created_at": "2022-09-04T14:35:58.549728Z",
"updated_at": "2022-09-04T14:35:58.549760Z",
"structure_string": "Ba2 Ge1 Pb1\n1.0\n-0.000000 4.172711 4.172711\n4.172711 -0.000000 4.172711\n4.172711 4.172711 -0.000000\nBa Ge Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pb"
],
"chemical_system": "Ba-Ge-Pb",
"density": 6.336669156427891,
"density_atomic": 0.02752802636114844,
"volume": 145.3064577722645,
"volume_molar": 21.87639855103932,
"formula_full": "Ba2 Ge1 Pb1",
"formula_reduced": "Ba2GePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0230221774999999,
"spacegroup": 225
},
{
"id": "jvasp-19951",
"created_at": "2022-09-04T14:38:13.461668Z",
"updated_at": "2022-09-04T14:38:13.461699Z",
"structure_string": "Ba2 Ge2\n1.0\n4.332919 0.000000 -0.000000\n0.000000 4.663411 -1.974784\n0.000000 0.029335 6.562940\nBa Ge\n2 2\ndirect\n0.250000 0.861539 0.723076 Ba\n0.750000 0.138462 0.276924 Ba\n0.250000 0.565563 0.131127 Ge\n0.750000 0.434438 0.868874 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.248391045089422,
"density_atomic": 0.030106206830572954,
"volume": 132.86296817498732,
"volume_molar": 20.002987403529346,
"formula_full": "Ba2 Ge2",
"formula_reduced": "BaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-100853",
"created_at": "2022-09-04T14:36:42.769095Z",
"updated_at": "2022-09-04T14:36:42.769104Z",
"structure_string": "Ba2 Ge3\n1.0\n6.430618 0.064655 -1.504090\n-1.029626 3.862420 -5.257461\n-0.045975 -0.064655 6.604015\nBa Ge\n2 3\ndirect\n0.777516 0.764945 0.012569 Ba\n0.247624 0.235054 0.012570 Ba\n0.646202 -0.000000 0.646202 Ge\n0.341436 -0.000000 0.341436 Ge\n0.822282 0.499999 0.322281 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.051153752318222,
"density_atomic": 0.030877349299165795,
"volume": 161.93099840131302,
"volume_molar": 19.503425315600843,
"formula_full": "Ba2 Ge3",
"formula_reduced": "Ba2Ge3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4215051899999999,
"spacegroup": 44
},
{
"id": "jvasp-14979",
"created_at": "2022-09-04T14:36:43.937407Z",
"updated_at": "2022-09-04T14:36:43.937438Z",
"structure_string": "Ba2 Ge4\n1.0\n4.595009 -0.000000 -1.411504\n-0.433588 4.574506 -1.411504\n0.006251 0.006872 8.205394\nBa Ge\n2 4\ndirect\n0.875000 0.625000 0.250001 Ba\n0.125000 0.375000 0.750000 Ba\n0.708208 0.958209 0.916417 Ge\n0.458208 0.208208 0.416417 Ge\n0.541792 0.791792 0.583584 Ge\n0.291792 0.041792 0.083583 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.438856587111759,
"density_atomic": 0.034769372257968646,
"volume": 172.56566944848666,
"volume_molar": 17.320245862706972,
"formula_full": "Ba2 Ge4",
"formula_reduced": "BaGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3114153166666666,
"spacegroup": 141
},
{
"id": "jvasp-87997",
"created_at": "2022-09-04T14:35:47.397302Z",
"updated_at": "2022-09-04T14:35:47.397328Z",
"structure_string": "Ba2 Ge4 Ru4\n1.0\n6.059363 0.032843 -1.443834\n-3.316032 5.071576 -1.443834\n-0.022040 -0.041008 7.164953\nBa Ge Ru\n2 4 4\ndirect\n0.874999 0.125000 0.250000 Ba\n0.125000 0.875000 0.750000 Ba\n0.197855 0.802146 0.250001 Ge\n0.552145 0.447855 0.250000 Ge\n0.802145 0.197854 0.750000 Ge\n0.447855 0.552145 0.750000 Ge\n0.252022 0.502022 0.004045 Ru\n0.497978 0.747978 0.495956 Ru\n0.502021 0.252021 0.504044 Ru\n0.747978 0.497978 0.995956 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Ru"
],
"chemical_system": "Ba-Ge-Ru",
"density": 7.309421820652808,
"density_atomic": 0.0454034445735595,
"volume": 220.24760662814242,
"volume_molar": 13.263620891677828,
"formula_full": "Ba2 Ge4 Ru4",
"formula_reduced": "Ba(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.111281774000001,
"spacegroup": 70
},
{
"id": "jvasp-51702",
"created_at": "2022-09-04T14:38:28.101020Z",
"updated_at": "2022-09-04T14:38:28.101042Z",
"structure_string": "Ba2 H10 Br2 O6\n1.0\n4.596794 0.000000 -0.000000\n0.000000 4.596794 -0.000000\n0.000000 -0.000000 11.729607\nBa H Br O\n2 10 2 6\ndirect\n0.500000 0.000000 0.808873 Ba\n0.000000 0.500000 0.191128 Ba\n0.500000 0.000000 0.518479 H\n0.000000 0.500000 0.481521 H\n0.500000 0.319389 0.379276 H\n0.180611 0.000000 0.379276 H\n0.500000 0.680610 0.379276 H\n0.000000 0.819389 0.620724 H\n0.000000 0.180611 0.620724 H\n0.319389 0.500000 0.620724 H\n0.680610 0.500000 0.620724 H\n0.819389 0.000000 0.379276 H\n0.000000 0.500000 0.902754 Br\n0.500000 0.000000 0.097246 Br\n0.000000 0.500000 0.564555 O\n0.500000 0.500000 0.671298 O\n0.000000 0.000000 0.671298 O\n0.000000 0.000000 0.328702 O\n0.500000 0.500000 0.328702 O\n0.500000 0.000000 0.435446 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.621442735677527,
"density_atomic": 0.08069310940350966,
"volume": 247.85263757762846,
"volume_molar": 7.463017356148719,
"formula_full": "Ba2 H10 Br2 O6",
"formula_reduced": "BaH5BrO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.2208500575,
"spacegroup": 129
},
{
"id": "jvasp-51701",
"created_at": "2022-09-04T14:38:26.789838Z",
"updated_at": "2022-09-04T14:38:26.789867Z",
"structure_string": "Ba2 H10 Cl2 O6\n1.0\n4.532074 -0.000000 -0.000000\n0.000000 4.532074 0.000000\n0.000000 -0.000000 11.476453\nBa H Cl O\n2 10 2 6\ndirect\n0.500000 0.000000 0.818969 Ba\n0.000000 0.500000 0.181031 Ba\n0.500000 0.000000 0.519949 H\n0.000000 0.500000 0.480051 H\n0.500000 0.317935 0.375407 H\n0.182064 0.000000 0.375407 H\n0.500000 0.682064 0.375407 H\n0.000000 0.817935 0.624593 H\n0.000000 0.182064 0.624593 H\n0.317935 0.500000 0.624593 H\n0.682064 0.500000 0.624593 H\n0.817935 0.000000 0.375407 H\n0.000000 0.500000 0.903453 Cl\n0.500000 0.000000 0.096546 Cl\n0.000000 0.500000 0.564895 O\n0.500000 0.500000 0.676930 O\n0.000000 0.000000 0.676930 O\n0.000000 0.000000 0.323070 O\n0.500000 0.500000 0.323070 O\n0.500000 0.000000 0.435105 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-H-O",
"density": 3.1815282962318525,
"density_atomic": 0.08484540525109986,
"volume": 235.72284133489643,
"volume_molar": 7.097780654329463,
"formula_full": "Ba2 H10 Cl2 O6",
"formula_reduced": "BaH5ClO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.23823805375,
"spacegroup": 129
},
{
"id": "jvasp-115544",
"created_at": "2022-09-04T14:38:44.864784Z",
"updated_at": "2022-09-04T14:38:44.864802Z",
"structure_string": "Ba2 H1 Br1\n1.0\n-0.000000 3.898164 3.898164\n3.898164 -0.000000 3.898164\n3.898164 3.898164 0.000000\nBa H Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.9837808315412255,
"density_atomic": 0.03376367229651184,
"volume": 118.47052550658847,
"volume_molar": 17.836154512796153,
"formula_full": "Ba2 H1 Br1",
"formula_reduced": "Ba2HBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3161565112499999,
"spacegroup": 225
},
{
"id": "jvasp-115543",
"created_at": "2022-09-04T14:38:44.193102Z",
"updated_at": "2022-09-04T14:38:44.193131Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.534192 0.000000 0.000000\n0.000000 4.534192 0.000000\n0.000000 0.000000 7.435998\nBa H Br\n2 2 2\ndirect\n0.500000 0.000000 0.805526 Ba\n0.000000 0.500000 0.194475 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.653791 Br\n0.500000 0.000000 0.346209 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.741025156337644,
"density_atomic": 0.039247515839335945,
"volume": 152.87591766474253,
"volume_molar": 15.344004916520834,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1373866916666666,
"spacegroup": 129
},
{
"id": "jvasp-3741",
"created_at": "2022-09-04T14:36:07.259837Z",
"updated_at": "2022-09-04T14:36:07.259868Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.534776 0.000000 0.000000\n0.000000 4.534776 0.000000\n0.000000 0.000000 7.430051\nBa H Br\n2 2 2\ndirect\n0.000000 0.500000 0.804327 Ba\n0.500000 0.000000 0.195673 Ba\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.654197 Br\n0.000000 0.500000 0.345803 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.743597843417366,
"density_atomic": 0.039268813253625356,
"volume": 152.79300551426954,
"volume_molar": 15.33568310583979,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1442866916666666,
"spacegroup": 129
},
{
"id": "jvasp-3708",
"created_at": "2022-09-04T14:35:50.344516Z",
"updated_at": "2022-09-04T14:35:50.344545Z",
"structure_string": "Ba2 H2 Cl2\n1.0\n4.392954 0.000000 -0.000000\n0.000000 4.392954 0.000000\n0.000000 0.000000 7.271233\nBa H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.791193 Ba\n0.500000 0.000000 0.208807 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.652000 Cl\n0.000000 0.500000 0.348000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Cl"
],
"chemical_system": "Ba-Cl-H",
"density": 4.113176593246154,
"density_atomic": 0.04275923016952551,
"volume": 140.32058052055854,
"volume_molar": 14.08383812366196,
"formula_full": "Ba2 H2 Cl2",
"formula_reduced": "BaHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1449666791666667,
"spacegroup": 129
},
{
"id": "jvasp-3711",
"created_at": "2022-09-04T14:35:54.544128Z",
"updated_at": "2022-09-04T14:35:54.544151Z",
"structure_string": "Ba2 H2 I2\n1.0\n4.726482 0.000000 0.000000\n0.000000 4.726482 0.000000\n0.000000 0.000000 7.779853\nBa H I\n2 2 2\ndirect\n0.500000 0.000000 0.825172 Ba\n0.000000 0.500000 0.174828 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.656721 I\n0.500000 0.000000 0.343279 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"I"
],
"chemical_system": "Ba-H-I",
"density": 5.0683866536538424,
"density_atomic": 0.03452262753671117,
"volume": 173.79905378348255,
"volume_molar": 17.444039430649042,
"formula_full": "Ba2 H2 I2",
"formula_reduced": "BaHI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1479574149999999,
"spacegroup": 129
}
]
}