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=created_at&page=1271",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1269",
"results": [
{
"id": "jvasp-99810",
"created_at": "2022-09-04T14:36:31.433132Z",
"updated_at": "2022-09-04T14:36:31.433158Z",
"structure_string": "Lu3 Cd1\n1.0\n4.698528 0.000000 0.000000\n0.000000 4.698528 0.000000\n0.000000 0.000000 4.698528\nLu Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Cd"
],
"chemical_system": "Cd-Lu",
"density": 10.202714533628852,
"density_atomic": 0.03856333041075253,
"volume": 103.72548110846486,
"volume_molar": 15.616236190847406,
"formula_full": "Lu3 Cd1",
"formula_reduced": "Lu3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8887605000000002,
"spacegroup": 221
},
{
"id": "jvasp-43849",
"created_at": "2022-09-04T14:36:31.440624Z",
"updated_at": "2022-09-04T14:36:31.440651Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.024906 -0.000000 0.000000\n-0.000000 5.368940 0.000000\n0.000000 0.000000 7.612507\nLi Mn F\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.966418 0.078023 0.250000 Mn\n0.466418 0.421977 0.750000 Mn\n0.533583 0.578023 0.250000 Mn\n0.033582 0.921977 0.750000 Mn\n0.810274 0.808501 0.074285 F\n0.310274 0.691499 0.574286 F\n0.310274 0.691499 0.925715 F\n0.855942 0.561734 0.750000 F\n0.144059 0.438266 0.250000 F\n0.189727 0.191499 0.925715 F\n0.689727 0.308501 0.074285 F\n0.189727 0.191499 0.574286 F\n0.810274 0.808501 0.425715 F\n0.644059 0.061734 0.750000 F\n0.689727 0.308501 0.425715 F\n0.355942 0.938266 0.250000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.8446136012728727,
"density_atomic": 0.09738359395221338,
"volume": 205.37340211344122,
"volume_molar": 6.183937679436123,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.416597617775862,
"spacegroup": 62
},
{
"id": "jvasp-78528",
"created_at": "2022-09-04T14:36:31.441774Z",
"updated_at": "2022-09-04T14:36:31.441802Z",
"structure_string": "Er1 Cd2\n1.0\n-1.156444 -0.667673 -3.099173\n-3.316824 -4.757876 -1.411575\n-2.462029 4.264359 0.000000\nEr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.166529 0.333339 0.666670 Cd\n0.833469 0.666661 0.333329 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Cd"
],
"chemical_system": "Cd-Er",
"density": 9.188403211007035,
"density_atomic": 0.042338591399819846,
"volume": 70.85734080451164,
"volume_molar": 14.223762673468693,
"formula_full": "Er1 Cd2",
"formula_reduced": "ErCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1983366666666666,
"spacegroup": 191
},
{
"id": "jvasp-8013",
"created_at": "2022-09-04T14:36:31.445749Z",
"updated_at": "2022-09-04T14:36:31.445779Z",
"structure_string": "Te4 Ru2\n1.0\n4.060631 0.000000 0.000000\n0.000000 5.379278 0.000000\n0.000000 0.000000 6.490832\nTe Ru\n4 2\ndirect\n0.000000 0.220711 0.365963 Te\n0.000000 0.779289 0.634036 Te\n0.500000 0.720712 0.134037 Te\n0.500000 0.279289 0.865963 Te\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Ru"
],
"chemical_system": "Ru-Te",
"density": 8.345271366829147,
"density_atomic": 0.042318802202383245,
"volume": 141.7809504934925,
"volume_molar": 14.23041401597339,
"formula_full": "Te4 Ru2",
"formula_reduced": "Te2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7746220111111115,
"spacegroup": 58
},
{
"id": "jvasp-92797",
"created_at": "2022-09-04T14:36:31.446459Z",
"updated_at": "2022-09-04T14:36:31.446483Z",
"structure_string": "La1 B1 Pd3\n1.0\n4.411819 -0.000000 0.000000\n0.000000 4.411819 0.000000\n0.000000 0.000000 4.411819\nLa B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"B",
"Pd"
],
"chemical_system": "B-La-Pd",
"density": 9.068742920178194,
"density_atomic": 0.05822599841783074,
"volume": 85.8722930626267,
"volume_molar": 10.34270072414219,
"formula_full": "La1 B1 Pd3",
"formula_reduced": "LaBPd3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3056129366666664,
"spacegroup": 221
},
{
"id": "jvasp-100356",
"created_at": "2022-09-04T14:36:31.446462Z",
"updated_at": "2022-09-04T14:36:31.446482Z",
"structure_string": "Rb1 Li1 Zn1 S2\n1.0\n3.827374 -0.015962 -6.250551\n-0.317603 3.814207 -6.250551\n0.014749 0.015962 7.329253\nRb Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500000 Zn\n0.650539 0.650540 0.000001 S\n0.349461 0.349461 0.000000 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Zn",
"S"
],
"chemical_system": "Li-Rb-S-Zn",
"density": 3.4212443682910925,
"density_atomic": 0.04641455145607722,
"volume": 107.72483721471647,
"volume_molar": 12.974682661102179,
"formula_full": "Rb1 Li1 Zn1 S2",
"formula_reduced": "RbLiZnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.1665600799999999,
"spacegroup": 119
},
{
"id": "jvasp-100218",
"created_at": "2022-09-04T14:36:31.448931Z",
"updated_at": "2022-09-04T14:36:31.448956Z",
"structure_string": "Pm2 Cu1 Pd1\n1.0\n4.372674 -0.000000 2.524565\n1.457558 4.122597 2.524565\n-0.000000 -0.000000 5.049129\nPm Cu Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.749999 0.750001 0.750002 Pm\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Pm",
"density": 8.391515058325393,
"density_atomic": 0.04394662639269763,
"volume": 91.01950088857465,
"volume_molar": 13.703306156398542,
"formula_full": "Pm2 Cu1 Pd1",
"formula_reduced": "Pm2CuPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9733546249999998,
"spacegroup": 225
},
{
"id": "jvasp-91387",
"created_at": "2022-09-04T14:36:31.449787Z",
"updated_at": "2022-09-04T14:36:31.449809Z",
"structure_string": "Fe12 B4 O20\n1.0\n3.017720 0.000000 0.000000\n0.000000 9.398753 -0.000000\n0.000000 0.000000 12.527160\nFe B O\n12 4 20\ndirect\n0.000000 0.000000 0.000000 Fe\n0.499998 0.500000 0.000000 Fe\n0.499998 0.000000 0.500000 Fe\n0.000000 0.000559 0.279003 Fe\n0.000000 -0.000560 0.720997 Fe\n0.000000 0.500559 0.220996 Fe\n0.000000 0.499440 0.779004 Fe\n0.499998 0.741618 0.388995 Fe\n0.499998 0.258382 0.611005 Fe\n0.499998 0.241617 0.111005 Fe\n0.499998 0.758383 0.888995 Fe\n0.000000 0.500000 0.500000 Fe\n0.499998 0.274745 0.358742 B\n0.499998 0.225255 0.858741 B\n0.499998 0.774745 0.141259 B\n0.499998 0.725255 0.641259 B\n0.499998 0.847808 0.237244 O\n0.499998 0.627512 0.141760 O\n0.000000 0.603573 0.356465 O\n0.000000 0.896426 0.856464 O\n0.000000 0.103573 0.143535 O\n0.499998 0.872487 0.641759 O\n0.499998 0.127513 0.358241 O\n0.499998 0.652191 0.737244 O\n0.499998 0.372488 0.858241 O\n0.000000 0.888650 0.424926 O\n0.000000 0.611349 0.924925 O\n0.000000 0.388651 0.075075 O\n0.499998 0.650585 0.545923 O\n0.000000 0.111349 0.575074 O\n0.000000 0.396427 0.643535 O\n0.499998 0.849413 0.045922 O\n0.499998 0.347809 0.262756 O\n0.499998 0.152191 0.762756 O\n0.499998 0.349415 0.454078 O\n0.499998 0.150586 0.954078 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-O",
"density": 4.8295201821781335,
"density_atomic": 0.10132128726286198,
"volume": 355.3053950706698,
"volume_molar": 5.943608616397178,
"formula_full": "Fe12 B4 O20",
"formula_reduced": "Fe3BO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.351057398148148,
"spacegroup": 55
},
{
"id": "jvasp-99027",
"created_at": "2022-09-04T14:36:31.456908Z",
"updated_at": "2022-09-04T14:36:31.456949Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.046953 0.161228 -0.036010\n-0.651890 6.698598 1.510921\n-2.920415 0.010824 7.640259\nW S Cl\n2 2 8\ndirect\n0.137620 0.243195 0.218096 W\n0.862379 0.756805 0.781904 W\n0.311762 -0.035339 0.296549 S\n0.688237 0.035339 0.703451 S\n0.878737 0.656092 0.083043 Cl\n0.121261 0.343908 0.916957 Cl\n0.547247 0.545610 0.712586 Cl\n0.452752 0.454390 0.287414 Cl\n0.921935 0.733765 0.525266 Cl\n0.078063 0.266235 0.474734 Cl\n0.253455 0.845547 0.897073 Cl\n0.746543 0.154453 0.102927 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 3.8475980094904525,
"density_atomic": 0.0388644265870305,
"volume": 308.76565162045995,
"volume_molar": 15.495251799262766,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7439593783333334,
"spacegroup": 2
},
{
"id": "jvasp-99859",
"created_at": "2022-09-04T14:36:31.457249Z",
"updated_at": "2022-09-04T14:36:31.457281Z",
"structure_string": "Zr6 Ta2\n1.0\n6.273474 0.000000 0.000000\n-3.136737 5.432988 -0.000000\n-0.000000 0.000000 5.134857\nZr Ta\n6 2\ndirect\n0.171185 0.342370 0.250000 Zr\n0.657630 0.828815 0.250000 Zr\n0.171185 0.828815 0.250000 Zr\n0.828814 0.657631 0.750000 Zr\n0.342369 0.171185 0.750000 Zr\n0.828814 0.171185 0.750000 Zr\n0.333333 0.666667 0.750000 Ta\n0.666666 0.333333 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ta"
],
"chemical_system": "Ta-Zr",
"density": 8.62685134359407,
"density_atomic": 0.04571037511573154,
"volume": 175.01497154082082,
"volume_molar": 13.174559921577712,
"formula_full": "Zr6 Ta2",
"formula_reduced": "Zr3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 4.939620675,
"spacegroup": 194
},
{
"id": "jvasp-92723",
"created_at": "2022-09-04T14:36:31.458927Z",
"updated_at": "2022-09-04T14:36:31.458950Z",
"structure_string": "Be3 N2\n1.0\n-1.425664 -2.469323 0.000000\n1.425664 -2.469323 0.000000\n0.000000 -1.646216 4.890475\nBe N\n3 2\ndirect\n0.859252 0.859252 0.422241 Be\n0.317650 0.317650 0.047047 Be\n0.088744 0.088744 0.733770 Be\n0.204134 0.204134 0.387599 N\n0.708317 0.708317 0.875047 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Be",
"N"
],
"chemical_system": "Be-N",
"density": 2.654788154493866,
"density_atomic": 0.14520911573526002,
"volume": 34.43309997917636,
"volume_molar": 4.147219497555063,
"formula_full": "Be3 N2",
"formula_reduced": "Be3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.12458096,
"spacegroup": 160
},
{
"id": "jvasp-15993",
"created_at": "2022-09-04T14:36:31.462861Z",
"updated_at": "2022-09-04T14:36:31.462891Z",
"structure_string": "U2 Si2 S2\n1.0\n4.108459 0.000000 0.000000\n0.000000 4.108459 -0.000000\n0.000000 -0.000000 7.230342\nU Si S\n2 2 2\ndirect\n0.500000 0.000000 0.754029 U\n0.000000 0.500000 0.245971 U\n0.500000 0.000000 0.367265 Si\n0.000000 0.500000 0.632735 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"S"
],
"chemical_system": "S-Si-U",
"density": 8.114093154597667,
"density_atomic": 0.04916256068817027,
"volume": 122.04409038123494,
"volume_molar": 12.249444853365983,
"formula_full": "U2 Si2 S2",
"formula_reduced": "USiS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.102504866666666,
"spacegroup": 129
}
]
}