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=spacegroup&page=1215",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1213",
"results": [
{
"id": "jvasp-10791",
"created_at": "2022-09-04T14:38:09.820578Z",
"updated_at": "2022-09-04T14:38:09.820604Z",
"structure_string": "K2 Tb4 Cu2 S8\n1.0\n3.960971 -0.000000 0.000000\n-1.980485 6.722748 -0.000000\n0.000000 0.000000 13.728220\nTb K Cu S\n4 2 2 8\ndirect\n0.365803 0.731604 0.936631 Tb\n0.634199 0.268397 0.436631 Tb\n0.365803 0.731604 0.563369 Tb\n0.634199 0.268397 0.063369 Tb\n0.889899 0.779798 0.250000 K\n0.110102 0.220202 0.750000 K\n0.838283 0.676565 0.750000 Cu\n0.161718 0.323435 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264532 0.529063 0.111861 S\n0.735470 0.470937 0.888139 S\n0.433687 0.867371 0.750000 S\n0.264532 0.529063 0.388139 S\n0.566315 0.132629 0.250000 S\n0.735470 0.470937 0.611861 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Tb",
"K",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Tb",
"density": 4.985340869370891,
"density_atomic": 0.04376805599920895,
"volume": 365.56341456630327,
"volume_molar": 13.759214620153204,
"formula_full": "K2 Tb4 Cu2 S8",
"formula_reduced": "KTb2CuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.09730815625,
"spacegroup": 63
},
{
"id": "jvasp-37093",
"created_at": "2022-09-04T14:38:09.847975Z",
"updated_at": "2022-09-04T14:38:09.848010Z",
"structure_string": "Sm2 Au2\n1.0\n-3.835959 0.000000 0.000000\n0.000000 -0.000000 -4.705211\n-1.917979 -5.565299 -0.000000\nSm Au\n2 2\ndirect\n0.137283 0.750000 0.725433 Sm\n0.862717 0.250000 0.274567 Sm\n0.410487 0.750000 0.179026 Au\n0.589513 0.250000 0.820974 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Au"
],
"chemical_system": "Au-Sm",
"density": 11.483533376014444,
"density_atomic": 0.0398215746267402,
"volume": 100.44806207422042,
"volume_molar": 15.122809222004324,
"formula_full": "Sm2 Au2",
"formula_reduced": "SmAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.1992932224999999,
"spacegroup": 63
},
{
"id": "jvasp-9921",
"created_at": "2022-09-04T14:38:10.280004Z",
"updated_at": "2022-09-04T14:38:10.280012Z",
"structure_string": "Ta2 F10\n1.0\n3.627438 0.000000 0.000000\n-1.813719 5.437505 0.000000\n0.000000 -0.000000 8.312925\nTa F\n2 10\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.470093 0.940185 0.250000 F\n0.529907 0.059815 0.750000 F\n0.076443 0.152886 0.585331 F\n0.923557 0.847113 0.414668 F\n0.338702 0.677406 0.915546 F\n0.661298 0.322594 0.084454 F\n0.661298 0.322594 0.415546 F\n0.338702 0.677406 0.584453 F\n0.076443 0.152886 0.914668 F\n0.923557 0.847113 0.085331 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"F"
],
"chemical_system": "F-Ta",
"density": 5.589076571546783,
"density_atomic": 0.07318595027064408,
"volume": 163.9658972196658,
"volume_molar": 8.228547607471002,
"formula_full": "Ta2 F10",
"formula_reduced": "TaF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5932517687499994,
"spacegroup": 63
},
{
"id": "jvasp-12236",
"created_at": "2022-09-04T14:38:10.040056Z",
"updated_at": "2022-09-04T14:38:10.040072Z",
"structure_string": "Cr2 Hg2 O8\n1.0\n5.279238 0.098812 0.000000\n-2.161125 4.817640 -0.000000\n-0.000000 0.000000 7.139287\nCr Hg O\n2 2 8\ndirect\n0.631696 0.368305 0.250000 Cr\n0.368306 0.631695 0.750000 Cr\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.718712 0.761134 0.750000 O\n0.281289 0.238865 0.250000 O\n0.761136 0.718711 0.250000 O\n0.238866 0.281288 0.750000 O\n0.263381 0.736619 0.939048 O\n0.736620 0.263380 0.439048 O\n0.736620 0.263380 0.060952 O\n0.263381 0.736619 0.560953 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"O"
],
"chemical_system": "Cr-Hg-O",
"density": 5.742169480981419,
"density_atomic": 0.06553746050892023,
"volume": 183.1013882261534,
"volume_molar": 9.188852777077521,
"formula_full": "Cr2 Hg2 O8",
"formula_reduced": "CrHgO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.139504333333334,
"spacegroup": 63
},
{
"id": "jvasp-42921",
"created_at": "2022-09-04T14:38:10.144435Z",
"updated_at": "2022-09-04T14:38:10.144461Z",
"structure_string": "Li4 Mn2 F10\n1.0\n-0.000000 4.089322 0.000000\n-4.866148 2.044660 0.000000\n-0.000000 -0.000000 9.557294\nLi Mn F\n4 2 10\ndirect\n0.124753 0.750495 0.920730 Li\n0.124753 0.750495 0.579269 Li\n0.875246 0.249505 0.079270 Li\n0.875246 0.249505 0.420730 Li\n0.204990 0.590020 0.250000 Mn\n0.795010 0.409980 0.750000 Mn\n0.068250 0.863500 0.114733 F\n0.068250 0.863500 0.385266 F\n0.667262 0.665475 0.899561 F\n0.667262 0.665475 0.600438 F\n0.241333 0.517335 0.750000 F\n0.758667 0.482666 0.250000 F\n0.332737 0.334525 0.399561 F\n0.332737 0.334525 0.100439 F\n0.931749 0.136501 0.614733 F\n0.931749 0.136501 0.885266 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.8605753975358494,
"density_atomic": 0.08412952061939837,
"volume": 190.1829450851615,
"volume_molar": 7.158177909088704,
"formula_full": "Li4 Mn2 F10",
"formula_reduced": "Li2MnF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.3590123317349138,
"spacegroup": 63
},
{
"id": "jvasp-37137",
"created_at": "2022-09-04T14:38:10.391910Z",
"updated_at": "2022-09-04T14:38:10.391922Z",
"structure_string": "Nd2 Au2\n1.0\n-3.905207 0.000000 0.000000\n0.000000 0.000000 -4.757646\n-1.952603 -5.636894 0.000000\nNd Au\n2 2\ndirect\n0.136686 0.750001 0.726626 Nd\n0.863314 0.250000 0.273373 Nd\n0.411315 0.750001 0.177370 Au\n0.588686 0.250000 0.822629 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 10.819893118039843,
"density_atomic": 0.03819301465873136,
"volume": 104.73119327556287,
"volume_molar": 15.76764969670513,
"formula_full": "Nd2 Au2",
"formula_reduced": "NdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.250449535,
"spacegroup": 63
},
{
"id": "jvasp-46038",
"created_at": "2022-09-04T14:38:10.642184Z",
"updated_at": "2022-09-04T14:38:10.642208Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n5.296429 3.708484 0.000000\n-5.296429 3.708484 0.000000\n0.000000 -0.000000 7.519291\nTb Sb O\n6 2 14\ndirect\n0.057131 0.514493 0.250000 Tb\n0.485506 0.942868 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.942868 0.485506 0.750000 Tb\n0.514493 0.057131 0.250000 Tb\n0.499999 0.499999 0.500000 Sb\n0.499999 0.499999 0.000000 Sb\n0.437104 0.178809 0.965317 O\n0.821190 0.562895 0.465317 O\n0.437104 0.178809 0.534683 O\n0.821190 0.562895 0.034683 O\n0.409690 0.409690 0.250000 O\n0.590309 0.590309 0.750000 O\n0.178809 0.437104 0.534683 O\n0.562895 0.821190 0.465317 O\n0.562895 0.821190 0.034683 O\n0.848216 0.114652 0.750000 O\n0.151783 0.885347 0.250000 O\n0.114652 0.848216 0.750000 O\n0.178809 0.437104 0.965317 O\n0.885347 0.151783 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tb",
"density": 7.98870144008349,
"density_atomic": 0.07447941008733845,
"volume": 295.3836499806007,
"volume_molar": 8.085645083571585,
"formula_full": "Tb6 Sb2 O14",
"formula_reduced": "Tb3SbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.216871436363636,
"spacegroup": 63
},
{
"id": "jvasp-9383",
"created_at": "2022-09-04T14:38:10.708456Z",
"updated_at": "2022-09-04T14:38:10.708479Z",
"structure_string": "Na4 S2 O8\n1.0\n5.267265 0.019600 0.000000\n-2.285746 4.745507 0.000000\n0.000000 0.000000 6.952566\nNa S O\n4 2 8\ndirect\n0.189661 0.810340 0.750000 Na\n0.810340 0.189661 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.850513 0.149488 0.750000 S\n0.149487 0.850513 0.250000 S\n0.245187 0.754814 0.076706 O\n0.754814 0.245187 0.576707 O\n0.754814 0.245187 0.923294 O\n0.245187 0.754814 0.423294 O\n0.164716 0.266902 0.750000 O\n0.835284 0.733099 0.250000 O\n0.733098 0.835284 0.750000 O\n0.266902 0.164716 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.709603153328565,
"density_atomic": 0.0804150672110695,
"volume": 174.09672696353644,
"volume_molar": 7.488821397355027,
"formula_full": "Na4 S2 O8",
"formula_reduced": "Na2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3760359999999998,
"spacegroup": 63
},
{
"id": "jvasp-18021",
"created_at": "2022-09-04T14:38:10.824710Z",
"updated_at": "2022-09-04T14:38:10.824734Z",
"structure_string": "Ce2 Pt2\n1.0\n3.622780 0.000000 -1.297453\n0.000000 4.402872 -0.000000\n0.057745 -0.000000 5.867771\nCe Pt\n2 2\ndirect\n0.863765 0.250000 0.727533 Ce\n0.136233 0.750000 0.272467 Ce\n0.596599 0.250000 0.193199 Pt\n0.403399 0.750000 0.806800 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pt"
],
"chemical_system": "Ce-Pt",
"density": 11.852336382569014,
"density_atomic": 0.04258737354138782,
"volume": 93.9245524524462,
"volume_molar": 14.140671892215858,
"formula_full": "Ce2 Pt2",
"formula_reduced": "CePt",
"formula_anonymous": "AB",
"energy_above_hull": 1.0283684500000003,
"spacegroup": 63
},
{
"id": "jvasp-46365",
"created_at": "2022-09-04T14:38:10.892941Z",
"updated_at": "2022-09-04T14:38:10.892976Z",
"structure_string": "Mg2 Fe4 O10\n1.0\n1.860909 4.669624 -0.000000\n-1.860909 4.669624 -0.000000\n0.000000 0.000000 9.568815\nMg Fe O\n2 4 10\ndirect\n0.205325 0.205325 0.250000 Mg\n0.794674 0.794674 0.750000 Mg\n0.138517 0.138517 0.558166 Fe\n0.138517 0.138517 0.941833 Fe\n0.861482 0.861482 0.058167 Fe\n0.861482 0.861482 0.441833 Fe\n0.045791 0.045791 0.111392 O\n0.045791 0.045791 0.388608 O\n0.317524 0.317524 0.050756 O\n0.317524 0.317524 0.449244 O\n0.785880 0.785880 0.250000 O\n0.214119 0.214119 0.750000 O\n0.682476 0.682476 0.550756 O\n0.954208 0.954208 0.611391 O\n0.682476 0.682476 0.949244 O\n0.954208 0.954208 0.888608 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.31341810080339,
"density_atomic": 0.09621101140318766,
"volume": 166.30113088562635,
"volume_molar": 6.259305117127659,
"formula_full": "Mg2 Fe4 O10",
"formula_reduced": "MgFe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.41431969375,
"spacegroup": 63
},
{
"id": "jvasp-14332",
"created_at": "2022-09-04T14:38:10.995393Z",
"updated_at": "2022-09-04T14:38:10.995418Z",
"structure_string": "Mn6 As2\n1.0\n3.461756 -0.000000 -0.804980\n0.000000 3.560710 -0.000000\n0.001444 0.000000 7.852207\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894478 Mn\n0.052760 0.750000 0.105522 Mn\n0.550758 0.250000 0.101514 Mn\n0.449242 0.750000 0.898486 Mn\n0.314936 0.250000 0.629872 Mn\n0.685064 0.750000 0.370129 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.750000 0.674787 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 8.225617281201842,
"density_atomic": 0.08265071558464909,
"volume": 96.79287037517021,
"volume_molar": 7.286253624546362,
"formula_full": "Mn6 As2",
"formula_reduced": "Mn3As",
"formula_anonymous": "AB3",
"energy_above_hull": 3.7561483685344825,
"spacegroup": 63
},
{
"id": "jvasp-11118",
"created_at": "2022-09-04T14:38:11.102893Z",
"updated_at": "2022-09-04T14:38:11.102921Z",
"structure_string": "Nd2 Lu2 Se6\n1.0\n4.014878 0.000000 -0.000000\n-2.007440 6.525063 -0.000000\n-0.000000 -0.000000 9.922466\nNd Lu Se\n2 2 6\ndirect\n0.747950 0.495899 0.750000 Nd\n0.252050 0.504101 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.914944 0.829888 0.250000 Se\n0.085056 0.170111 0.750000 Se\n0.356778 0.713556 0.562037 Se\n0.643222 0.286443 0.437964 Se\n0.356778 0.713556 0.937964 Se\n0.643222 0.286443 0.062036 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"Se"
],
"chemical_system": "Lu-Nd-Se",
"density": 7.104715895408582,
"density_atomic": 0.03847010028677577,
"volume": 259.942134942589,
"volume_molar": 15.654081260791854,
"formula_full": "Nd2 Lu2 Se6",
"formula_reduced": "NdLuSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1297494699999997,
"spacegroup": 63
}
]
}