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=id&page=416",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=414",
"results": [
{
"id": "jvasp-107165",
"created_at": "2022-09-04T14:37:16.379414Z",
"updated_at": "2022-09-04T14:37:16.379439Z",
"structure_string": "Ca1 Tm1 Zn2\n1.0\n4.354622 -0.000000 2.514142\n1.451541 4.105577 2.514142\n-0.000000 -0.000000 5.028284\nCa Tm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Zn\n0.749999 0.750001 0.749999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tm",
"Zn"
],
"chemical_system": "Ca-Tm-Zn",
"density": 6.277209428452204,
"density_atomic": 0.044495442322449154,
"volume": 89.89684765942627,
"volume_molar": 13.53428676213354,
"formula_full": "Ca1 Tm1 Zn2",
"formula_reduced": "CaTmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107167",
"created_at": "2022-09-04T14:37:01.675352Z",
"updated_at": "2022-09-04T14:37:01.675371Z",
"structure_string": "Dy1 Ho1 Tl2\n1.0\n4.610752 -0.000000 2.662019\n1.536917 4.347058 2.662019\n-0.000000 -0.000000 5.324037\nDy Ho Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Ho",
"Tl"
],
"chemical_system": "Dy-Ho-Tl",
"density": 11.456048157310738,
"density_atomic": 0.0374845005222273,
"volume": 106.71077229982316,
"volume_molar": 16.065682284946103,
"formula_full": "Dy1 Ho1 Tl2",
"formula_reduced": "DyHoTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2926293166666666,
"spacegroup": 225
},
{
"id": "jvasp-107168",
"created_at": "2022-09-04T14:36:43.470257Z",
"updated_at": "2022-09-04T14:36:43.470281Z",
"structure_string": "Ce1 Sm1 Mg2\n1.0\n4.686324 -0.000000 2.705650\n1.562108 4.418309 2.705650\n-0.000000 -0.000000 5.411301\nCe Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Sm",
"Mg"
],
"chemical_system": "Ce-Mg-Sm",
"density": 5.025379547978684,
"density_atomic": 0.03570013863245458,
"volume": 112.04438282947301,
"volume_molar": 16.868676119160337,
"formula_full": "Ce1 Sm1 Mg2",
"formula_reduced": "CeSmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4935981187499999,
"spacegroup": 225
},
{
"id": "jvasp-10717",
"created_at": "2022-09-04T14:37:28.358457Z",
"updated_at": "2022-09-04T14:37:28.358483Z",
"structure_string": "Tb2 Ti2 S2 O5\n1.0\n3.744927 0.000000 -0.611861\n-0.099968 3.743592 -0.611861\n0.009327 0.009579 11.823535\nTb Ti S O\n2 2 2 5\ndirect\n0.833046 0.833045 0.666092 Tb\n0.166955 0.166954 0.333909 Tb\n0.421204 0.421203 0.842407 Ti\n0.578798 0.578797 0.157593 Ti\n0.294648 0.294647 0.589295 S\n0.705353 0.705352 0.410706 S\n0.400159 0.900158 0.800318 O\n0.900160 0.400158 0.800318 O\n0.599842 0.099841 0.199683 O\n0.099841 0.599841 0.199683 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Tb",
"Ti",
"S",
"O"
],
"chemical_system": "O-S-Tb-Ti",
"density": 5.585533275888101,
"density_atomic": 0.06634351472374503,
"volume": 165.8036968014748,
"volume_molar": 9.07721091515312,
"formula_full": "Tb2 Ti2 S2 O5",
"formula_reduced": "Tb2Ti2S2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 2.6163746333333333,
"spacegroup": 139
},
{
"id": "jvasp-107172",
"created_at": "2022-09-04T14:38:47.948702Z",
"updated_at": "2022-09-04T14:38:47.948720Z",
"structure_string": "Cu6 Rh2\n1.0\n5.226349 -0.000000 0.000000\n-2.613174 4.526151 0.000000\n-0.000000 -0.000000 4.226210\nCu Rh\n6 2\ndirect\n0.164633 0.329265 0.250000 Cu\n0.670736 0.835367 0.250000 Cu\n0.164633 0.835367 0.250000 Cu\n0.835368 0.670735 0.750000 Cu\n0.329265 0.164632 0.750000 Cu\n0.835368 0.164632 0.750000 Cu\n0.333334 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh",
"density": 9.751536306790715,
"density_atomic": 0.0800223807184126,
"volume": 99.97203192630403,
"volume_molar": 7.525570604042709,
"formula_full": "Cu6 Rh2",
"formula_reduced": "Cu3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4139810875,
"spacegroup": 194
},
{
"id": "jvasp-107173",
"created_at": "2022-09-04T14:36:49.750284Z",
"updated_at": "2022-09-04T14:36:49.750315Z",
"structure_string": "Er2 Cu1 Pd1\n1.0\n4.212099 -0.000000 2.431857\n1.404033 3.971205 2.431857\n-0.000000 -0.000000 4.863713\nEr Cu Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.750000 Er\n0.500000 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Pd"
],
"chemical_system": "Cu-Er-Pd",
"density": 10.296928037243678,
"density_atomic": 0.04916671296397993,
"volume": 81.35585559544002,
"volume_molar": 12.248410351149335,
"formula_full": "Er2 Cu1 Pd1",
"formula_reduced": "Er2CuPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8284465375,
"spacegroup": 225
},
{
"id": "jvasp-107174",
"created_at": "2022-09-04T14:36:44.138090Z",
"updated_at": "2022-09-04T14:36:44.138120Z",
"structure_string": "Cu1 Pb1 O3\n1.0\n3.866438 -0.000000 0.000000\n0.000000 3.866438 0.000000\n-0.000000 -0.000000 3.866438\nCu Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb",
"density": 9.157105904774442,
"density_atomic": 0.08650413204669437,
"volume": 57.80070710727475,
"volume_molar": 6.961679884550819,
"formula_full": "Cu1 Pb1 O3",
"formula_reduced": "CuPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3661403539999997,
"spacegroup": 221
},
{
"id": "jvasp-107175",
"created_at": "2022-09-04T14:36:50.160216Z",
"updated_at": "2022-09-04T14:36:50.160244Z",
"structure_string": "Dy1 Zr1\n1.0\n3.365700 -0.000000 0.000000\n-1.682849 2.914782 0.000000\n-0.000000 -0.000000 5.364576\nDy Zr\n1 1\ndirect\n0.333333 0.666666 0.500000 Dy\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Zr"
],
"chemical_system": "Dy-Zr",
"density": 8.00559771816556,
"density_atomic": 0.038002582604238035,
"volume": 52.62800217627738,
"volume_molar": 15.846661851156435,
"formula_full": "Dy1 Zr1",
"formula_reduced": "DyZr",
"formula_anonymous": "AB",
"energy_above_hull": 1.9473005,
"spacegroup": 187
},
{
"id": "jvasp-107176",
"created_at": "2022-09-04T14:36:49.996467Z",
"updated_at": "2022-09-04T14:36:49.996485Z",
"structure_string": "Er2 Al6\n1.0\n6.230927 0.000000 0.000000\n-3.115463 5.396141 0.000000\n-0.000000 0.000000 4.594737\nEr Al\n2 6\ndirect\n0.666667 0.333333 0.250000 Er\n0.333334 0.666666 0.750000 Er\n0.851696 0.148304 0.750000 Al\n0.296608 0.148304 0.750000 Al\n0.851696 0.703392 0.750000 Al\n0.148305 0.851695 0.250000 Al\n0.703393 0.851695 0.250000 Al\n0.148305 0.296608 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Al"
],
"chemical_system": "Al-Er",
"density": 5.335689970740573,
"density_atomic": 0.051783735644715355,
"volume": 154.488661360537,
"volume_molar": 11.629405806714088,
"formula_full": "Er2 Al6",
"formula_reduced": "ErAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4946446000000004,
"spacegroup": 194
},
{
"id": "jvasp-107177",
"created_at": "2022-09-04T14:36:52.218026Z",
"updated_at": "2022-09-04T14:36:52.218047Z",
"structure_string": "Er1 Mg1 Ag2\n1.0\n4.234059 -0.000000 2.444535\n1.411353 3.991909 2.444535\n-0.000000 -0.000000 4.889070\nEr Mg Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750002 Ag\n0.250000 0.250000 0.250001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Ag"
],
"chemical_system": "Ag-Er-Mg",
"density": 8.184650533318502,
"density_atomic": 0.0484056657936858,
"volume": 82.63495469825298,
"volume_molar": 12.44098322222757,
"formula_full": "Er1 Mg1 Ag2",
"formula_reduced": "ErMgAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107179",
"created_at": "2022-09-04T14:36:52.772147Z",
"updated_at": "2022-09-04T14:36:52.772173Z",
"structure_string": "K2 Hg1 Au1\n1.0\n4.922495 0.000000 2.842004\n1.640832 4.640973 2.842004\n0.000000 0.000000 5.684007\nK Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-K",
"density": 6.083897067549556,
"density_atomic": 0.03080427995870774,
"volume": 129.85208566348203,
"volume_molar": 19.54968844612667,
"formula_full": "K2 Hg1 Au1",
"formula_reduced": "K2HgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10718",
"created_at": "2022-09-04T14:37:27.883843Z",
"updated_at": "2022-09-04T14:37:27.883858Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.153936 0.000000 0.000000\n0.000000 7.492951 0.000000\n0.000000 0.000000 8.539940\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.497419 0.821414 0.745084 Ag\n0.997420 0.178586 0.245084 Ag\n0.997420 0.178586 0.754916 Ag\n0.497419 0.821414 0.254916 Ag\n0.477969 0.332891 0.500000 Sn\n0.977969 0.667109 0.000000 Sn\n0.970536 0.649109 0.500000 Hg\n0.470535 0.350891 0.000000 Hg\n0.354502 0.656543 0.500000 Se\n0.854503 0.343457 0.000000 Se\n0.841325 0.314190 0.500000 Se\n0.341325 0.685810 0.000000 Se\n0.862917 0.843399 0.755861 Se\n0.862917 0.843399 0.244139 Se\n0.362917 0.156601 0.255861 Se\n0.362917 0.156601 0.744139 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.172950703585298,
"density_atomic": 0.034951612764794866,
"volume": 457.7757286243471,
"volume_molar": 17.229936714296123,
"formula_full": "Ag4 Sn2 Hg2 Se8",
"formula_reduced": "Ag2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5268142858333333,
"spacegroup": 31
}
]
}