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=structure_string&page=1137",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1135",
"results": [
{
"id": "jvasp-8770",
"created_at": "2022-09-04T14:37:00.901433Z",
"updated_at": "2022-09-04T14:37:00.901449Z",
"structure_string": "Cu1 I4\n1.0\n6.229173 -0.000000 0.000000\n6.229173 8.122688 0.566268\n3.114586 5.698527 4.010566\nCu I\n1 4\ndirect\n0.359180 0.499986 0.281668 Cu\n0.001451 -0.001227 -0.000448 I\n0.500372 0.001067 -0.002878 I\n0.251603 0.500087 -0.014170 I\n0.762392 0.500087 -0.014170 I\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.187714028494706,
"density_atomic": 0.027348669275986108,
"volume": 182.82425186918772,
"volume_molar": 22.01986758195883,
"formula_full": "Cu1 I4",
"formula_reduced": "CuI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 42
},
{
"id": "jvasp-89928",
"created_at": "2022-09-04T14:35:59.399317Z",
"updated_at": "2022-09-04T14:35:59.399335Z",
"structure_string": "Cu1 I4 N4\n1.0\n-1.556695 0.000000 8.111107\n-5.589777 2.722004 4.732709\n-5.589777 -2.722004 4.732709\nCu I N\n1 4 4\ndirect\n0.500000 0.000000 0.000000 Cu\n0.898569 0.248388 0.248388 I\n0.101431 0.751613 0.751613 I\n0.724957 0.647379 0.647379 I\n0.275042 0.352622 0.352622 I\n0.778259 0.661644 0.123963 N\n0.778259 0.123963 0.661644 N\n0.221741 0.338358 0.876038 N\n0.221741 0.876038 0.338358 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cu",
"I",
"N"
],
"chemical_system": "Cu-I-N",
"density": 5.038110267687076,
"density_atomic": 0.04353729919297908,
"volume": 206.71929969995384,
"volume_molar": 13.832141340019422,
"formula_full": "Cu1 I4 N4",
"formula_reduced": "Cu(IN)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.6266698388888887,
"spacegroup": 12
},
{
"id": "jvasp-51198",
"created_at": "2022-09-04T14:36:48.278587Z",
"updated_at": "2022-09-04T14:36:48.278609Z",
"structure_string": "Cu1 Ir1 Br1\n1.0\n0.000000 3.024842 3.024842\n3.024842 0.000000 3.024842\n3.024842 3.024842 0.000000\nCu Ir Br\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"Ir",
"Br"
],
"chemical_system": "Br-Cu-Ir",
"density": 10.069772644471353,
"density_atomic": 0.05419798935298408,
"volume": 55.35260691058871,
"volume_molar": 11.111373008283799,
"formula_full": "Cu1 Ir1 Br1",
"formula_reduced": "CuIrBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5976518849999997,
"spacegroup": 216
},
{
"id": "jvasp-107586",
"created_at": "2022-09-04T14:37:00.607377Z",
"updated_at": "2022-09-04T14:37:00.607402Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n4.496658 0.043145 2.163736\n1.605163 4.113916 2.328645\n0.103975 -0.145170 5.528577\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500001 0.500001 Mo\n0.262838 0.892006 0.261156 F\n0.737160 0.107997 0.738846 F\n0.416114 0.736846 0.739117 F\n0.583884 0.263156 0.260886 F\n0.891819 0.584300 0.261102 F\n0.108179 0.415702 0.738900 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.4525598754876174,
"density_atomic": 0.0784387696759219,
"volume": 101.99038094366918,
"volume_molar": 7.677505377609969,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3964172556249999,
"spacegroup": 148
},
{
"id": "jvasp-99108",
"created_at": "2022-09-04T14:35:51.705893Z",
"updated_at": "2022-09-04T14:35:51.705918Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n5.015903 0.029310 0.017017\n2.476033 3.685986 2.332709\n-0.016939 -0.081030 5.538432\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Mo\n0.737087 0.848990 0.261158 F\n0.262911 0.151011 0.738842 F\n0.585987 0.524294 0.738869 F\n0.414011 0.475707 0.261131 F\n0.110436 0.152519 0.261205 F\n0.889562 0.847482 0.738795 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.411475586709612,
"density_atomic": 0.07771500600853175,
"volume": 102.94022236994667,
"volume_molar": 7.749006362218996,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3979147556249999,
"spacegroup": 148
},
{
"id": "jvasp-85434",
"created_at": "2022-09-04T14:36:20.646414Z",
"updated_at": "2022-09-04T14:36:20.646444Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n5.021016 0.054995 0.033478\n2.448438 3.694441 2.362794\n-0.031421 -0.112178 5.540358\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 -0.000001 0.500001 Mo\n0.737161 0.849719 0.261060 F\n0.262841 0.150279 0.738941 F\n0.586587 0.524869 0.738731 F\n0.413415 0.475129 0.261270 F\n0.111595 0.151163 0.261508 F\n0.888408 0.848835 0.738493 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.394059900102583,
"density_atomic": 0.07740820159293316,
"volume": 103.34822196321824,
"volume_molar": 7.779719249477797,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.398028505625,
"spacegroup": 148
},
{
"id": "jvasp-104771",
"created_at": "2022-09-04T14:37:11.131909Z",
"updated_at": "2022-09-04T14:37:11.131929Z",
"structure_string": "Cu1 Mo1 O4\n1.0\n3.572618 -0.013336 -4.451825\n-0.452079 3.543924 -4.451825\n0.011788 0.013336 5.708083\nCu Mo O\n1 1 4\ndirect\n0.500000 0.499999 -0.000002 Cu\n0.250000 0.749999 0.499999 Mo\n0.057075 0.557074 0.499999 O\n0.738274 0.738272 -0.000002 O\n0.442925 0.942924 0.499998 O\n0.261726 0.261725 -0.000001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"O"
],
"chemical_system": "Cu-Mo-O",
"density": 5.107271513445786,
"density_atomic": 0.0825744026786868,
"volume": 72.66174268734558,
"volume_molar": 7.2929873721682625,
"formula_full": "Cu1 Mo1 O4",
"formula_reduced": "CuMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5592400583333337,
"spacegroup": 119
},
{
"id": "jvasp-94913",
"created_at": "2022-09-04T14:35:46.029307Z",
"updated_at": "2022-09-04T14:35:46.029332Z",
"structure_string": "Cu1 Mo1 S4 N1\n1.0\n0.000000 -0.000000 5.457646\n-3.839233 3.839233 2.728823\n-3.839233 -3.839233 2.728823\nCu Mo S N\n1 1 4 1\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Mo\n0.642874 0.319734 0.917941 S\n0.880551 0.680265 0.082058 S\n0.037392 0.082058 0.319734 S\n0.439183 0.917941 0.680265 S\n0.250000 0.500000 0.500000 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cu",
"Mo",
"S",
"N"
],
"chemical_system": "Cu-Mo-N-S",
"density": 3.114411283630078,
"density_atomic": 0.043508463051776705,
"volume": 160.88823895410272,
"volume_molar": 13.841308880144597,
"formula_full": "Cu1 Mo1 S4 N1",
"formula_reduced": "CuMoS4N",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.0467313714285718,
"spacegroup": 82
},
{
"id": "jvasp-75507",
"created_at": "2022-09-04T14:35:40.815476Z",
"updated_at": "2022-09-04T14:35:40.815498Z",
"structure_string": "Cu1 Mo2 As1\n1.0\n0.000000 3.108005 3.108005\n3.108005 0.000000 3.108005\n3.108005 3.108005 -0.000000\nCu Mo As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"As"
],
"chemical_system": "As-Cu-Mo",
"density": 9.135769453707496,
"density_atomic": 0.0666169690594362,
"volume": 60.04476121438619,
"volume_molar": 9.039950098340555,
"formula_full": "Cu1 Mo2 As1",
"formula_reduced": "CuMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.558041,
"spacegroup": 216
},
{
"id": "jvasp-36270",
"created_at": "2022-09-04T14:37:14.754591Z",
"updated_at": "2022-09-04T14:37:14.754612Z",
"structure_string": "Cu1 N1\n1.0\n2.088084 2.088084 -0.000000\n2.088084 0.000000 -2.088084\n0.000000 2.088084 -2.088084\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.072486504194996,
"density_atomic": 0.10983888186015782,
"volume": 18.20848834337475,
"volume_molar": 5.482703991531098,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 2.02916685,
"spacegroup": 225
},
{
"id": "jvasp-8328",
"created_at": "2022-09-04T14:37:01.290076Z",
"updated_at": "2022-09-04T14:37:01.290097Z",
"structure_string": "Cu1 N1\n1.0\n2.615646 -0.000000 0.000000\n0.000000 2.615646 0.000000\n0.000000 0.000000 2.615646\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.196297688354554,
"density_atomic": 0.11176172498213503,
"volume": 17.895214129163605,
"volume_molar": 5.388374920808203,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 2.22859685,
"spacegroup": 221
},
{
"id": "jvasp-36271",
"created_at": "2022-09-04T14:38:01.989420Z",
"updated_at": "2022-09-04T14:38:01.989453Z",
"structure_string": "Cu1 N1\n1.0\n2.615665 0.000000 0.000000\n0.000000 2.615665 -0.000000\n-0.000000 -0.000000 2.615665\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.19614086934728,
"density_atomic": 0.11175928951274203,
"volume": 17.895604103424205,
"volume_molar": 5.3884923448027084,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 2.22848185,
"spacegroup": 221
}
]
}