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=3412",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=3410",
"results": [
{
"id": "jvasp-40814",
"created_at": "2022-09-04T14:37:46.392313Z",
"updated_at": "2022-09-04T14:37:46.392326Z",
"structure_string": "Zr1 Ag1 B1\n1.0\n3.724709 -0.000000 2.150462\n1.241570 3.511689 2.150462\n-0.000000 -0.000000 4.300923\nZr Ag B\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Zr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.499999 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ag",
"B"
],
"chemical_system": "Ag-B-Zr",
"density": 6.195810039468587,
"density_atomic": 0.05332749599738627,
"volume": 56.2561572391668,
"volume_molar": 11.292749917031847,
"formula_full": "Zr1 Ag1 B1",
"formula_reduced": "ZrAgB",
"formula_anonymous": "ABC",
"energy_above_hull": 2.784714781111111,
"spacegroup": 216
},
{
"id": "jvasp-40424",
"created_at": "2022-09-04T14:37:51.435511Z",
"updated_at": "2022-09-04T14:37:51.435545Z",
"structure_string": "Al2 Fe1 Ni1\n1.0\n-0.000002 2.874116 2.874115\n2.874114 0.000001 2.874113\n2.874115 2.874115 -0.000000\nAl Fe Ni\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000001 -0.000000 Al\n0.250001 0.249999 0.250001 Fe\n0.750000 0.749998 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ni"
],
"chemical_system": "Al-Fe-Ni",
"density": 5.892647552072884,
"density_atomic": 0.08423986212962567,
"volume": 47.48345852994067,
"volume_molar": 7.148801775973134,
"formula_full": "Al2 Fe1 Ni1",
"formula_reduced": "Al2FeNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.828850875,
"spacegroup": 225
},
{
"id": "jvasp-16478",
"created_at": "2022-09-04T14:37:51.713557Z",
"updated_at": "2022-09-04T14:37:51.713582Z",
"structure_string": "Li2 Cd1 Pb1\n1.0\n4.177638 -0.000000 2.411961\n1.392546 3.938715 2.411961\n-0.000000 -0.000000 4.823921\nLi Cd Pb\n2 1 1\ndirect\n0.750001 0.750001 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.499999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Pb"
],
"chemical_system": "Cd-Li-Pb",
"density": 6.976703577052498,
"density_atomic": 0.05039349071353824,
"volume": 79.37533088822913,
"volume_molar": 11.950235387012292,
"formula_full": "Li2 Cd1 Pb1",
"formula_reduced": "Li2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-77330",
"created_at": "2022-09-04T14:37:51.991390Z",
"updated_at": "2022-09-04T14:37:51.991414Z",
"structure_string": "Ba1 Na2 Sr1\n1.0\n-13.572212 0.000192 -7.835606\n-13.271507 0.011127 7.314790\n-8.953236 12.225013 -0.164674\nBa Na Sr\n1 2 1\ndirect\n0.500000 -0.000000 -0.000000 Ba\n0.753138 -0.000002 -0.000002 Na\n0.246862 0.000001 0.000001 Na\n-0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sr"
],
"chemical_system": "Ba-Na-Sr",
"density": 0.18109909817551142,
"density_atomic": 0.0016101844682998461,
"volume": 2484.1874199814515,
"volume_molar": 374.00315793373846,
"formula_full": "Ba1 Na2 Sr1",
"formula_reduced": "BaNa2Sr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-41509",
"created_at": "2022-09-04T14:37:52.213096Z",
"updated_at": "2022-09-04T14:37:52.213123Z",
"structure_string": "Tm2 Ni1 Ir1\n1.0\n-0.000000 3.344854 3.344854\n3.344854 0.000000 3.344854\n3.344854 3.344854 0.000000\nTm Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Tm",
"density": 13.062905432385703,
"density_atomic": 0.0534439437040761,
"volume": 74.84477609190591,
"volume_molar": 11.268144419403502,
"formula_full": "Tm2 Ni1 Ir1",
"formula_reduced": "Tm2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8804705,
"spacegroup": 225
},
{
"id": "jvasp-40004",
"created_at": "2022-09-04T14:37:52.245042Z",
"updated_at": "2022-09-04T14:37:52.245062Z",
"structure_string": "Be2 Pd1 Rh1\n1.0\n-0.000000 2.799550 2.799550\n2.799550 -0.000000 2.799550\n2.799550 2.799550 0.000000\nBe Pd Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"Rh"
],
"chemical_system": "Be-Pd-Rh",
"density": 8.60298400277387,
"density_atomic": 0.09115181285287478,
"volume": 43.88283540181775,
"volume_molar": 6.606715293441442,
"formula_full": "Be2 Pd1 Rh1",
"formula_reduced": "Be2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.897450225,
"spacegroup": 225
},
{
"id": "jvasp-20982",
"created_at": "2022-09-04T14:37:52.253577Z",
"updated_at": "2022-09-04T14:37:52.253606Z",
"structure_string": "Tm1 Mn6 Sn6\n1.0\n2.722236 -4.715051 -0.000000\n2.722236 4.715051 -0.000000\n0.000000 -0.000000 8.946723\nTm Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.248038 Mn\n0.500001 0.500001 0.751961 Mn\n0.500000 0.000000 0.751961 Mn\n0.000000 0.500000 0.751961 Mn\n0.500001 0.500001 0.248038 Mn\n0.500000 0.000000 0.248038 Mn\n0.666668 0.333334 0.500000 Sn\n0.000000 0.000000 0.668561 Sn\n0.000000 0.000000 0.331438 Sn\n0.333334 0.666668 0.000000 Sn\n0.666668 0.333334 0.000000 Sn\n0.333334 0.666668 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Tm",
"density": 8.754340173636088,
"density_atomic": 0.05660270648940354,
"volume": 229.6709964290082,
"volume_molar": 10.639315915268805,
"formula_full": "Tm1 Mn6 Sn6",
"formula_reduced": "Tm(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.762325992175066,
"spacegroup": 191
},
{
"id": "jvasp-41330",
"created_at": "2022-09-04T14:37:52.367113Z",
"updated_at": "2022-09-04T14:37:52.367135Z",
"structure_string": "Hf2 Os1 Rh1\n1.0\n0.000000 3.258408 3.258408\n3.258408 -0.000000 3.258408\n3.258408 3.258408 0.000000\nHf Os Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500001 0.500001 Hf\n0.250001 0.250001 0.250001 Os\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Os",
"Rh"
],
"chemical_system": "Hf-Os-Rh",
"density": 15.602465549225812,
"density_atomic": 0.05781141583177709,
"volume": 69.19048673084612,
"volume_molar": 10.416871258651687,
"formula_full": "Hf2 Os1 Rh1",
"formula_reduced": "Hf2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.742451,
"spacegroup": 225
},
{
"id": "jvasp-43751",
"created_at": "2022-09-04T14:37:51.449649Z",
"updated_at": "2022-09-04T14:37:51.449674Z",
"structure_string": "Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.087214246296895,
"density_atomic": 0.10436773265513304,
"volume": 229.9561309749276,
"volume_molar": 5.770117455650042,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.3645214282722704,
"spacegroup": 1
},
{
"id": "jvasp-54667",
"created_at": "2022-09-04T14:37:51.456121Z",
"updated_at": "2022-09-04T14:37:51.456156Z",
"structure_string": "Na1 H1 O1\n1.0\n2.319876 2.319876 0.332761\n-0.000000 2.652636 2.652636\n2.652636 -0.000000 2.652636\nNa H O\n1 1 1\ndirect\n0.952847 0.015718 0.015718 Na\n0.157776 0.614076 0.614076 H\n0.549762 0.483414 0.483414 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.191535041473279,
"density_atomic": 0.09899014760587752,
"volume": 30.30604633447254,
"volume_molar": 6.083575896842523,
"formula_full": "Na1 H1 O1",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8058108333333336,
"spacegroup": 160
},
{
"id": "jvasp-16269",
"created_at": "2022-09-04T14:37:51.473858Z",
"updated_at": "2022-09-04T14:37:51.473874Z",
"structure_string": "Lu3 Sn1 C1\n1.0\n4.734837 0.000000 0.000000\n0.000000 4.734837 -0.000000\n0.000000 -0.000000 4.734837\nLu Sn C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Sn",
"C"
],
"chemical_system": "C-Lu-Sn",
"density": 10.256219783522798,
"density_atomic": 0.047103687403281094,
"volume": 106.1488022623833,
"volume_molar": 12.784860574589574,
"formula_full": "Lu3 Sn1 C1",
"formula_reduced": "Lu3SnC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.08435579,
"spacegroup": 221
},
{
"id": "jvasp-39969",
"created_at": "2022-09-04T14:37:51.475797Z",
"updated_at": "2022-09-04T14:37:51.475807Z",
"structure_string": "Mg1 Sc1 Rh2\n1.0\n0.000000 3.161802 3.161802\n3.161802 0.000000 3.161802\n3.161802 3.161802 0.000000\nMg Sc Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mg\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Rh"
],
"chemical_system": "Mg-Rh-Sc",
"density": 7.225390745650818,
"density_atomic": 0.06327410140130559,
"volume": 63.21701788589075,
"volume_molar": 9.517544503406793,
"formula_full": "Mg1 Sc1 Rh2",
"formula_reduced": "MgScRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.669352575,
"spacegroup": 225
}
]
}