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=-nelements&page=4332",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4330",
"results": [
{
"id": "jvasp-54844",
"created_at": "2022-09-04T14:37:45.128538Z",
"updated_at": "2022-09-04T14:37:45.128547Z",
"structure_string": "Ti1 Si2\n1.0\n3.273079 0.122389 -1.067536\n-0.407191 2.810382 -0.926294\n-0.246868 -0.042245 4.796863\nTi Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.331002 0.330991 0.662006 Si\n0.668998 0.669007 0.337993 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.9710747808296434,
"density_atomic": 0.06895856698583179,
"volume": 43.50438431553224,
"volume_molar": 8.73298420084238,
"formula_full": "Ti1 Si2",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8989318444444443,
"spacegroup": 71
},
{
"id": "jvasp-19774",
"created_at": "2022-09-04T14:37:46.493140Z",
"updated_at": "2022-09-04T14:37:46.493151Z",
"structure_string": "Nb1 Au2\n1.0\n2.345082 -4.061801 0.000000\n2.345082 4.061801 0.000000\n0.000000 0.000000 2.769837\nNb Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.500001 Au\n0.333333 0.666667 0.500001 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Au"
],
"chemical_system": "Au-Nb",
"density": 15.320538757548398,
"density_atomic": 0.056853914403601824,
"volume": 52.76681529266775,
"volume_molar": 10.59230630497886,
"formula_full": "Nb1 Au2",
"formula_reduced": "NbAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8303948466666664,
"spacegroup": 191
},
{
"id": "jvasp-39339",
"created_at": "2022-09-04T14:37:58.520406Z",
"updated_at": "2022-09-04T14:37:58.520433Z",
"structure_string": "Pa6 Ta2\n1.0\n3.142796 -5.443482 0.000000\n3.142796 5.443482 0.000000\n0.000000 0.000000 5.630169\nPa Ta\n6 2\ndirect\n0.827541 0.172460 0.250000 Pa\n0.827542 0.655083 0.250000 Pa\n0.344918 0.172460 0.250000 Pa\n0.172460 0.827541 0.750000 Pa\n0.172460 0.344918 0.750000 Pa\n0.655083 0.827542 0.750000 Pa\n0.666668 0.333334 0.750000 Ta\n0.333334 0.666668 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Ta"
],
"chemical_system": "Pa-Ta",
"density": 15.068627711818468,
"density_atomic": 0.04152843616706051,
"volume": 192.63908633153474,
"volume_molar": 14.501246172078678,
"formula_full": "Pa6 Ta2",
"formula_reduced": "Pa3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 5.304612125,
"spacegroup": 194
},
{
"id": "jvasp-30667",
"created_at": "2022-09-04T14:37:38.358404Z",
"updated_at": "2022-09-04T14:37:38.358437Z",
"structure_string": "Re4 O14\n1.0\n5.020335 0.000000 -1.365883\n0.000000 5.379136 -0.000000\n-0.321702 -0.000000 8.726692\nRe O\n4 14\ndirect\n0.630294 0.250000 0.770992 Re\n0.859300 0.250000 0.229008 Re\n0.369706 0.750000 0.229008 Re\n0.140699 0.750000 0.770992 Re\n0.162729 0.750000 0.000000 O\n0.837270 0.250000 0.000000 O\n0.129338 0.000000 0.258677 O\n0.870661 0.500000 0.741324 O\n0.414005 0.000000 0.828009 O\n0.585994 0.500000 0.171991 O\n0.414005 0.500000 0.828009 O\n0.870661 0.000000 0.741324 O\n0.430937 0.250000 0.571608 O\n0.859328 0.250000 0.428392 O\n0.569063 0.750000 0.428392 O\n0.140672 0.750000 0.571608 O\n0.585994 0.000000 0.171991 O\n0.129338 0.500000 0.258677 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Re",
"O"
],
"chemical_system": "O-Re",
"density": 6.895645818764694,
"density_atomic": 0.07715346549440455,
"volume": 233.30125075594208,
"volume_molar": 7.805405397424109,
"formula_full": "Re4 O14",
"formula_reduced": "Re2O7",
"formula_anonymous": "A2B7",
"energy_above_hull": 3.8777922777777776,
"spacegroup": 63
},
{
"id": "jvasp-54808",
"created_at": "2022-09-04T14:37:45.122426Z",
"updated_at": "2022-09-04T14:37:45.122444Z",
"structure_string": "Tl4 Pd2\n1.0\n5.472710 -0.013907 -1.516771\n-3.168604 4.462140 -1.516767\n0.007201 0.013907 5.679006\nTl Pd\n4 2\ndirect\n0.335465 0.835465 0.170930 Tl\n0.164535 0.335465 0.500000 Tl\n0.835465 0.664535 0.500000 Tl\n0.664535 0.164535 0.829071 Tl\n0.250000 0.250000 -0.000000 Pd\n0.750000 0.750000 -0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl",
"density": 12.339156255993098,
"density_atomic": 0.04327061448739408,
"volume": 138.66223235050117,
"volume_molar": 13.91739135517573,
"formula_full": "Tl4 Pd2",
"formula_reduced": "Tl2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0712169666666665,
"spacegroup": 140
},
{
"id": "jvasp-37715",
"created_at": "2022-09-04T14:38:01.639991Z",
"updated_at": "2022-09-04T14:38:01.640016Z",
"structure_string": "Tb6 H18\n1.0\n3.190766 -5.526570 -0.000000\n3.190766 5.526570 0.000000\n0.000000 0.000000 6.648488\nTb H\n6 18\ndirect\n0.000000 0.337546 0.750000 Tb\n0.337546 0.000000 0.750000 Tb\n0.662455 0.662455 0.750000 Tb\n0.662454 0.000000 0.250000 Tb\n0.000000 0.662454 0.250000 Tb\n0.337547 0.337547 0.250000 Tb\n0.032338 0.352868 0.090693 H\n0.666668 0.333334 0.184787 H\n0.000000 0.000000 0.250000 H\n0.333334 0.666668 0.315213 H\n0.967663 0.320530 0.409307 H\n0.352868 0.032338 0.409307 H\n0.679472 0.647133 0.409307 H\n0.320530 0.352869 0.590693 H\n0.666668 0.333334 0.684787 H\n0.032338 0.679471 0.590693 H\n0.647133 0.679472 0.090693 H\n0.000000 0.000000 0.750000 H\n0.333334 0.666668 0.815213 H\n0.967663 0.647133 0.909307 H\n0.352869 0.320530 0.909307 H\n0.679471 0.032338 0.909307 H\n0.647133 0.967663 0.590693 H\n0.320530 0.967663 0.090693 H\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tb",
"H"
],
"chemical_system": "H-Tb",
"density": 6.881380281337676,
"density_atomic": 0.10235468497090755,
"volume": 234.4787637890885,
"volume_molar": 5.883600503202842,
"formula_full": "Tb6 H18",
"formula_reduced": "TbH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1161096,
"spacegroup": 165
},
{
"id": "jvasp-35074",
"created_at": "2022-09-04T14:37:45.109677Z",
"updated_at": "2022-09-04T14:37:45.109685Z",
"structure_string": "Sm2 Se4\n1.0\n4.129730 -0.000000 -0.000000\n-0.000000 4.129730 0.000000\n0.000000 0.000000 8.451767\nSm Se\n2 4\ndirect\n0.500000 0.000000 0.726260 Sm\n0.000000 0.500000 0.273740 Sm\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.368430 Se\n0.000000 0.500000 0.631570 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Se"
],
"chemical_system": "Se-Sm",
"density": 7.102865818645764,
"density_atomic": 0.04162559145003831,
"volume": 144.14209602767045,
"volume_molar": 14.467399862001137,
"formula_full": "Sm2 Se4",
"formula_reduced": "SmSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7121418694444444,
"spacegroup": 129
},
{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
"volume_molar": 15.048493632898548,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-20287",
"created_at": "2022-09-04T14:37:46.475909Z",
"updated_at": "2022-09-04T14:37:46.475938Z",
"structure_string": "Hf1 Co1\n1.0\n3.136138 0.000000 0.000000\n-0.000000 3.136138 0.000000\n0.000000 -0.000000 3.136138\nHf Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Co"
],
"chemical_system": "Co-Hf",
"density": 12.781644910402886,
"density_atomic": 0.06484022323209317,
"volume": 30.845051116512575,
"volume_molar": 9.287661978651693,
"formula_full": "Hf1 Co1",
"formula_reduced": "HfCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.70336195,
"spacegroup": 221
},
{
"id": "jvasp-41",
"created_at": "2022-09-04T14:37:45.108644Z",
"updated_at": "2022-09-04T14:37:45.108654Z",
"structure_string": "Si3 O6\n1.0\n2.468628 -4.275790 0.000000\n2.468628 4.275790 0.000000\n0.000000 0.000000 5.449313\nSi O\n3 6\ndirect\n0.534491 0.000000 0.666667 Si\n0.000000 0.534491 0.333333 Si\n0.465509 0.465509 0.000000 Si\n0.274478 0.862591 0.447197 O\n0.588114 0.725523 0.780530 O\n0.137410 0.411887 0.113864 O\n0.411887 0.137410 0.886135 O\n0.725523 0.588114 0.219469 O\n0.862591 0.274478 0.552802 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.6018819646975793,
"density_atomic": 0.07823457760710704,
"volume": 115.03864755553323,
"volume_molar": 7.69754364910501,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3850352000000004,
"spacegroup": 154
},
{
"id": "jvasp-38464",
"created_at": "2022-09-04T14:38:02.023601Z",
"updated_at": "2022-09-04T14:38:02.023624Z",
"structure_string": "Li3 Cr1\n1.0\n4.151414 0.000000 0.000000\n0.000000 4.151414 0.000000\n0.000000 0.000000 4.151414\nLi Cr\n3 1\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cr"
],
"chemical_system": "Cr-Li",
"density": 1.6900761290454434,
"density_atomic": 0.055907729415743075,
"volume": 71.54645774030735,
"volume_molar": 10.77157098478806,
"formula_full": "Li3 Cr1",
"formula_reduced": "Li3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 1.82055185,
"spacegroup": 221
},
{
"id": "jvasp-17665",
"created_at": "2022-09-04T14:38:00.892383Z",
"updated_at": "2022-09-04T14:38:00.892406Z",
"structure_string": "Rh2 N4\n1.0\n2.833598 0.000000 0.000000\n0.000000 4.044083 0.000000\n0.000000 -0.000000 4.892383\nRh N\n2 4\ndirect\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.376302 0.913867 N\n0.500000 0.623698 0.086132 N\n0.000000 0.123698 0.413868 N\n0.000000 0.876301 0.586131 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 7.755373076899347,
"density_atomic": 0.10702186238551209,
"volume": 56.06331142310826,
"volume_molar": 5.627019214361231,
"formula_full": "Rh2 N4",
"formula_reduced": "RhN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.981569833333333,
"spacegroup": 58
}
]
}