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=1149",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1147",
"results": [
{
"id": "jvasp-12573",
"created_at": "2022-09-04T14:37:00.636424Z",
"updated_at": "2022-09-04T14:37:00.636438Z",
"structure_string": "Cu2 H8 Cl4 O4\n1.0\n3.777320 0.000000 0.000000\n-0.000000 7.341678 0.000000\n0.000000 0.000000 7.978850\nCu H Cl O\n2 8 4 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.136984 0.085689 0.314076 H\n0.863016 0.914312 0.685924 H\n0.136984 0.414311 0.185924 H\n0.863016 0.585689 0.814076 H\n0.863016 0.914312 0.314076 H\n0.136984 0.414311 0.814076 H\n0.136984 0.085689 0.685924 H\n0.863016 0.585689 0.185924 H\n0.619941 0.747421 0.500000 Cl\n0.380059 0.247421 0.000000 Cl\n0.380059 0.252580 0.500000 Cl\n0.619941 0.752580 0.000000 Cl\n0.000000 0.500000 0.743001 O\n0.000000 0.000000 0.756999 O\n0.000000 0.500000 0.256999 O\n0.000000 0.000000 0.243001 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 2.5588194303585623,
"density_atomic": 0.08134916389647567,
"volume": 221.2684081536064,
"volume_molar": 7.4028305535674965,
"formula_full": "Cu2 H8 Cl4 O4",
"formula_reduced": "CuH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.8654117316666663,
"spacegroup": 53
},
{
"id": "jvasp-30210",
"created_at": "2022-09-04T14:37:12.177180Z",
"updated_at": "2022-09-04T14:37:12.177205Z",
"structure_string": "Cu2 H8 I4 O16\n1.0\n6.644135 0.000000 -0.037423\n0.000000 4.763873 0.000000\n-2.602910 0.000000 11.002504\nCu H I O\n2 8 4 16\ndirect\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.181526 0.587029 0.923274 H\n0.181526 0.912970 0.423275 H\n0.344970 0.761469 0.537827 H\n0.655031 0.261469 0.962173 H\n0.344970 0.738531 0.037827 H\n0.655031 0.238531 0.462173 H\n0.818473 0.087029 0.576725 H\n0.818473 0.412970 0.076726 H\n0.738630 0.870919 0.234178 I\n0.738630 0.629080 0.734177 I\n0.261370 0.129080 0.765822 I\n0.261370 0.370919 0.265822 I\n0.485620 0.155813 0.340507 O\n0.928877 0.819982 0.666794 O\n0.785012 0.710520 0.386899 O\n0.772694 0.273331 0.536487 O\n0.514380 0.655813 0.159493 O\n0.785012 0.789480 0.886899 O\n0.514380 0.844186 0.659493 O\n0.071122 0.319983 0.833206 O\n0.485620 0.344186 0.840507 O\n0.227305 0.726668 0.463512 O\n0.214987 0.289480 0.613101 O\n0.071122 0.180017 0.333206 O\n0.227305 0.773331 0.963512 O\n0.772694 0.226668 0.036488 O\n0.214987 0.210520 0.113101 O\n0.928877 0.680017 0.166794 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cu",
"H",
"I",
"O"
],
"chemical_system": "Cu-H-I-O",
"density": 4.291247810862324,
"density_atomic": 0.08626014430705393,
"volume": 347.78518214867796,
"volume_molar": 6.981371070471926,
"formula_full": "Cu2 H8 I4 O16",
"formula_reduced": "CuH4(IO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.3174274,
"spacegroup": 14
},
{
"id": "jvasp-7685",
"created_at": "2022-09-04T14:37:04.651922Z",
"updated_at": "2022-09-04T14:37:04.651946Z",
"structure_string": "Cu2 Hg1 Ge1 S4\n1.0\n5.049311 0.000000 -2.331287\n-1.076365 4.933253 -2.331287\n-0.017232 -0.021397 6.596449\nCu Hg Ge S\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 -0.000000 Ge\n0.861657 0.861655 0.271654 S\n0.590001 0.138344 0.728345 S\n0.409999 0.409998 0.271654 S\n0.138345 0.590000 0.728345 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-Hg-S",
"density": 5.358203838867797,
"density_atomic": 0.04883686201888875,
"volume": 163.81068867417855,
"volume_molar": 12.331137814855513,
"formula_full": "Cu2 Hg1 Ge1 S4",
"formula_reduced": "Cu2HgGeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.81424393125,
"spacegroup": 121
},
{
"id": "jvasp-16860",
"created_at": "2022-09-04T14:37:57.744350Z",
"updated_at": "2022-09-04T14:37:57.744380Z",
"structure_string": "Cu2 Hg1 Ge1 Se4\n1.0\n5.325921 0.000000 -2.451160\n-1.128103 5.205077 -2.451160\n-0.026132 -0.032402 6.954925\nCu Hg Ge Se\n2 1 1 4\ndirect\n0.250001 0.750001 0.500001 Cu\n0.750000 0.250000 0.500001 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Ge\n0.407272 0.407272 0.274920 Se\n0.592728 0.132353 0.725081 Se\n0.132353 0.592729 0.725082 Se\n0.867648 0.867648 0.274920 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Hg-Se",
"density": 6.195207684355452,
"density_atomic": 0.04167594787270497,
"volume": 191.9572417269357,
"volume_molar": 14.449919119761905,
"formula_full": "Cu2 Hg1 Ge1 Se4",
"formula_reduced": "Cu2HgGeSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5341131145833332,
"spacegroup": 121
},
{
"id": "jvasp-3660",
"created_at": "2022-09-04T14:36:19.268756Z",
"updated_at": "2022-09-04T14:36:19.268780Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n6.084640 -0.008737 -0.332729\n-0.008737 6.084640 -0.332729\n-2.697680 -2.697680 6.544254\nCu Hg I\n2 1 4\ndirect\n0.250006 0.749957 0.500019 Cu\n0.749957 0.250006 0.500019 Cu\n0.500089 0.500089 0.000044 Hg\n0.094727 0.645175 0.739950 I\n0.354775 0.354775 0.259966 I\n0.645175 0.094727 0.739950 I\n0.905267 0.905267 0.260047 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 5.995515105414701,
"density_atomic": 0.030257498820894936,
"volume": 231.34760878404154,
"volume_molar": 19.902969494098727,
"formula_full": "Cu2 Hg1 I4",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 121
},
{
"id": "jvasp-22642",
"created_at": "2022-09-04T14:37:10.932717Z",
"updated_at": "2022-09-04T14:37:10.932726Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n6.104224 0.000000 0.000000\n0.000000 6.104224 -0.000000\n0.000000 -0.000000 6.305420\nCu Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.270932 0.270932 0.261764 I\n0.729068 0.729068 0.261764 I\n0.270932 0.729068 0.738236 I\n0.729068 0.270932 0.738236 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 5.903595219463405,
"density_atomic": 0.0297936077636818,
"volume": 234.9497266501894,
"volume_molar": 20.212861791585198,
"formula_full": "Cu2 Hg1 I4",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0009342857142857,
"spacegroup": 111
},
{
"id": "jvasp-115979",
"created_at": "2022-09-04T14:38:40.104060Z",
"updated_at": "2022-09-04T14:38:40.104079Z",
"structure_string": "Cu2 I1\n1.0\n4.655178 0.000000 0.000000\n0.000000 3.697282 0.000000\n0.000000 0.000000 4.863251\nCu I\n2 1\ndirect\n-0.033347 0.000000 0.742579 Cu\n-0.033347 0.000000 0.257420 Cu\n0.466695 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.038847624324453,
"density_atomic": 0.03584063550846977,
"volume": 83.70387292075353,
"volume_molar": 16.802550162864335,
"formula_full": "Cu2 I1",
"formula_reduced": "Cu2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0683434833333333,
"spacegroup": 47
},
{
"id": "jvasp-115974",
"created_at": "2022-09-04T14:38:40.449876Z",
"updated_at": "2022-09-04T14:38:40.449894Z",
"structure_string": "Cu2 I1\n1.0\n4.728648 -0.000000 -0.000000\n-2.364324 4.095129 0.000000\n0.000000 0.000000 3.741984\nCu I\n2 1\ndirect\n0.333334 0.666667 0.000000 Cu\n0.666667 0.333334 0.000000 Cu\n0.000000 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.820633825898319,
"density_atomic": 0.0414013740711717,
"volume": 72.46136311424837,
"volume_molar": 14.545750944515856,
"formula_full": "Cu2 I1",
"formula_reduced": "Cu2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0571534833333334,
"spacegroup": 191
},
{
"id": "jvasp-56190",
"created_at": "2022-09-04T14:37:20.002770Z",
"updated_at": "2022-09-04T14:37:20.002797Z",
"structure_string": "Cu2 I2\n1.0\n2.129619 -3.688609 -0.000000\n2.129619 3.688609 0.000000\n0.000000 0.000000 7.038904\nCu I\n2 2\ndirect\n0.333333 0.666667 0.626812 Cu\n0.666667 0.333333 0.126813 Cu\n0.333333 0.666667 0.998187 I\n0.666667 0.333333 0.498187 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.719546164656828,
"density_atomic": 0.03617099196319614,
"volume": 110.58585299706422,
"volume_molar": 16.649089320324713,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.00228,
"spacegroup": 186
},
{
"id": "jvasp-36157",
"created_at": "2022-09-04T14:37:29.036286Z",
"updated_at": "2022-09-04T14:37:29.036307Z",
"structure_string": "Cu2 I2\n1.0\n-3.528270 -3.614562 -0.000000\n-3.528270 3.614562 0.000000\n0.000000 -0.000000 -4.378311\nCu I\n2 2\ndirect\n0.414998 0.585002 0.750000 Cu\n0.585002 0.414998 0.250000 Cu\n0.780714 0.219286 0.750000 I\n0.219286 0.780714 0.250000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.663788776860523,
"density_atomic": 0.03581837656893085,
"volume": 111.67451970644677,
"volume_molar": 16.81299192444041,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0301899999999999,
"spacegroup": 63
},
{
"id": "jvasp-115980",
"created_at": "2022-09-04T14:38:40.223855Z",
"updated_at": "2022-09-04T14:38:40.223894Z",
"structure_string": "Cu2 I2\n1.0\n4.041752 0.000000 -0.000000\n0.000000 4.041752 0.000000\n0.000000 -0.000000 5.771779\nCu I\n2 2\ndirect\n-0.000000 0.000000 0.250063 Cu\n0.500000 0.500000 0.749939 Cu\n-0.000000 0.000000 0.750028 I\n0.500000 0.500000 0.249972 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 6.708294563925018,
"density_atomic": 0.04242393745466742,
"volume": 94.28639206990736,
"volume_molar": 14.195148119938247,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.08723,
"spacegroup": 225
},
{
"id": "jvasp-5164",
"created_at": "2022-09-04T14:37:39.972251Z",
"updated_at": "2022-09-04T14:37:39.972276Z",
"structure_string": "Cu2 I2\n1.0\n4.120990 0.000000 0.000000\n0.000000 4.120990 0.000000\n0.000000 0.000000 6.345366\nCu I\n2 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.270136 I\n0.000000 0.500000 0.729865 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.8695031948746585,
"density_atomic": 0.03711933548183952,
"volume": 107.76054980717483,
"volume_molar": 16.223729982844944,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.010605,
"spacegroup": 129
}
]
}