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=1167",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1165",
"results": [
{
"id": "jvasp-100275",
"created_at": "2022-09-04T14:36:38.234264Z",
"updated_at": "2022-09-04T14:36:38.234284Z",
"structure_string": "Nd2 Lu2 S6\n1.0\n6.638846 0.000352 0.000000\n-5.561604 3.625305 -0.000000\n-0.000000 -0.000000 9.848895\nNd Lu S\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.245714 0.754284 0.250000 Lu\n0.754286 0.245714 0.750000 Lu\n0.892799 0.107201 0.250000 S\n0.107201 0.892797 0.750000 S\n0.649440 0.350559 0.081999 S\n0.350560 0.649439 0.581999 S\n0.649440 0.350559 0.418002 S\n0.350560 0.649439 0.918002 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"S"
],
"chemical_system": "Lu-Nd-S",
"density": 5.819555188838265,
"density_atomic": 0.04218324874084461,
"volume": 237.060925805777,
"volume_molar": 14.276142638983055,
"formula_full": "Nd2 Lu2 S6",
"formula_reduced": "NdLuS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4237454500000002,
"spacegroup": 63
},
{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.419007809916521,
"density_atomic": 0.07061087817794418,
"volume": 198.26973352064897,
"volume_molar": 8.528630312207417,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3073113857142857,
"spacegroup": 63
},
{
"id": "jvasp-99887",
"created_at": "2022-09-04T14:36:38.368455Z",
"updated_at": "2022-09-04T14:36:38.368473Z",
"structure_string": "Sm2 P2 Os4 C2\n1.0\n5.896377 -0.006300 0.000000\n-4.600788 3.687825 -0.000000\n0.000000 -0.000000 7.123820\nSm P Os C\n2 2 4 2\ndirect\n0.544945 0.455054 0.250000 Sm\n0.455054 0.544945 0.750000 Sm\n0.269803 0.730195 0.250000 P\n0.730196 0.269803 0.750000 P\n0.833408 0.166592 0.052768 Os\n0.166591 0.833406 0.947232 Os\n0.166591 0.833406 0.552768 Os\n0.833408 0.166592 0.447232 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"P",
"Os",
"C"
],
"chemical_system": "C-Os-P-Sm",
"density": 12.318386111789117,
"density_atomic": 0.06464140664599714,
"volume": 154.6996038431543,
"volume_molar": 9.316227898597122,
"formula_full": "Sm2 P2 Os4 C2",
"formula_reduced": "SmPOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.687262875,
"spacegroup": 63
},
{
"id": "jvasp-3975",
"created_at": "2022-09-04T14:36:38.749640Z",
"updated_at": "2022-09-04T14:36:38.749662Z",
"structure_string": "Rb2 Li2 Br4\n1.0\n4.164243 0.000000 -1.201901\n0.000000 7.542522 0.000000\n0.012378 0.000000 7.857788\nRb Li Br\n2 2 4\ndirect\n0.627272 0.750000 0.254543 Rb\n0.372729 0.250000 0.745457 Rb\n0.892279 0.750000 0.784558 Li\n0.107721 0.250000 0.215442 Li\n0.304414 0.750000 0.608827 Br\n0.695585 0.250000 0.391173 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Li",
"Br"
],
"chemical_system": "Br-Li-Rb",
"density": 3.3923662764543714,
"density_atomic": 0.03239959785921514,
"volume": 246.91664491522783,
"volume_molar": 18.587084895830504,
"formula_full": "Rb2 Li2 Br4",
"formula_reduced": "RbLiBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-99498",
"created_at": "2022-09-04T14:36:38.916093Z",
"updated_at": "2022-09-04T14:36:38.916118Z",
"structure_string": "La2 Co2 Si4\n1.0\n8.572858 -0.002398 0.000000\n-7.517573 4.120680 0.000000\n-0.000000 0.000000 4.128510\nLa Co Si\n2 2 4\ndirect\n0.607817 0.392183 0.250000 La\n0.392183 0.607817 0.750000 La\n0.817913 0.182087 0.250000 Co\n0.182087 0.817913 0.750000 Co\n0.956206 0.043794 0.250000 Si\n0.043794 0.956206 0.750000 Si\n0.249968 0.750032 0.250000 Si\n0.750032 0.249967 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Co",
"Si"
],
"chemical_system": "Co-La-Si",
"density": 5.78712888320828,
"density_atomic": 0.05488122626040327,
"volume": 145.76933762451276,
"volume_molar": 10.973043370834748,
"formula_full": "La2 Co2 Si4",
"formula_reduced": "LaCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.676138275,
"spacegroup": 63
},
{
"id": "jvasp-10995",
"created_at": "2022-09-04T14:36:39.384755Z",
"updated_at": "2022-09-04T14:36:39.384780Z",
"structure_string": "Mg2 Se2 O8\n1.0\n4.947814 0.005498 -0.000000\n-1.903113 4.567171 0.000000\n0.000000 0.000000 6.518990\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.353265 0.646735 0.750000 Se\n0.646735 0.353265 0.250000 Se\n0.225954 0.276336 0.750000 O\n0.774046 0.723664 0.250000 O\n0.276336 0.225954 0.250000 O\n0.723664 0.774046 0.750000 O\n0.245881 0.754119 0.963032 O\n0.754119 0.245881 0.463032 O\n0.754119 0.245881 0.036968 O\n0.245881 0.754119 0.536968 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.769085067749963,
"density_atomic": 0.08142152814406213,
"volume": 147.3811690044426,
"volume_molar": 7.39625120931752,
"formula_full": "Mg2 Se2 O8",
"formula_reduced": "MgSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.628729402777778,
"spacegroup": 63
},
{
"id": "jvasp-18671",
"created_at": "2022-09-04T14:36:44.577365Z",
"updated_at": "2022-09-04T14:36:44.577393Z",
"structure_string": "Th2 Co2\n1.0\n3.534330 -0.000000 -1.214926\n-0.000000 4.016918 0.000000\n0.051075 0.000000 5.896888\nTh Co\n2 2\ndirect\n0.866205 0.250000 0.732411 Th\n0.133794 0.750000 0.267589 Th\n0.592716 0.250000 0.185433 Co\n0.407282 0.750000 0.814566 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Co"
],
"chemical_system": "Co-Th",
"density": 11.508404471585322,
"density_atomic": 0.04763716723485325,
"volume": 83.96804915539647,
"volume_molar": 12.641685283909919,
"formula_full": "Th2 Co2",
"formula_reduced": "ThCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.00742825,
"spacegroup": 63
},
{
"id": "jvasp-16160",
"created_at": "2022-09-04T14:36:39.452824Z",
"updated_at": "2022-09-04T14:36:39.452835Z",
"structure_string": "Nd2 Mn2 Si4\n1.0\n4.001040 -0.000000 0.000000\n0.000000 3.981772 -0.927521\n-0.000000 0.009411 9.050879\nNd Mn Si\n2 2 4\ndirect\n0.250000 0.898071 0.796144 Nd\n0.750000 0.101928 0.203856 Nd\n0.750000 0.750132 0.500267 Mn\n0.250000 0.249867 0.499733 Mn\n0.250000 0.679315 0.358631 Si\n0.750000 0.320685 0.641369 Si\n0.750000 0.463112 0.926225 Si\n0.250000 0.536887 0.073775 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"Si"
],
"chemical_system": "Mn-Nd-Si",
"density": 5.879921315219375,
"density_atomic": 0.05546828888867441,
"volume": 144.2265510669728,
"volume_molar": 10.856907398182978,
"formula_full": "Nd2 Mn2 Si4",
"formula_reduced": "NdMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.890638985344827,
"spacegroup": 63
},
{
"id": "jvasp-4828",
"created_at": "2022-09-04T14:36:39.763833Z",
"updated_at": "2022-09-04T14:36:39.763858Z",
"structure_string": "Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 3.431160932461664,
"density_atomic": 0.10166023445597815,
"volume": 118.04025501432766,
"volume_molar": 5.923791925354808,
"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1879737166666677,
"spacegroup": 63
},
{
"id": "jvasp-31620",
"created_at": "2022-09-04T14:36:39.611354Z",
"updated_at": "2022-09-04T14:36:39.611374Z",
"structure_string": "Nb6 B6 C2\n1.0\n3.144394 0.000000 0.000000\n0.000000 3.277465 -0.372690\n0.000000 -0.003363 14.567899\nNb B C\n6 6 2\ndirect\n0.250000 0.453246 0.906492 Nb\n0.749999 0.546754 0.093508 Nb\n0.250000 0.787309 0.574619 Nb\n0.749999 0.212690 0.425381 Nb\n0.749999 0.362085 0.724170 Nb\n0.250000 0.637914 0.275830 Nb\n0.250000 0.015426 0.030852 B\n0.749999 0.984573 0.969148 B\n0.250000 0.888401 0.776803 B\n0.749999 0.111598 0.223197 B\n0.250000 0.078841 0.157683 B\n0.749999 0.921158 0.842317 B\n0.250000 0.712163 0.424326 C\n0.749999 0.287836 0.575674 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"B",
"C"
],
"chemical_system": "B-C-Nb",
"density": 7.148912255098433,
"density_atomic": 0.09325400509284636,
"volume": 150.12760026833377,
"volume_molar": 6.457782434120856,
"formula_full": "Nb6 B6 C2",
"formula_reduced": "Nb3B3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.763617992857143,
"spacegroup": 63
},
{
"id": "jvasp-101436",
"created_at": "2022-09-04T14:36:39.658398Z",
"updated_at": "2022-09-04T14:36:39.658420Z",
"structure_string": "Th2 Si2 Os4 C2\n1.0\n5.999283 -0.012831 -0.000000\n-4.661218 3.776849 0.000000\n-0.000000 0.000000 7.208812\nTh Si Os C\n2 2 4 2\ndirect\n0.553560 0.446440 0.250000 Th\n0.446440 0.553560 0.750000 Th\n0.272764 0.727237 0.250000 Si\n0.727236 0.272764 0.750000 Si\n0.835206 0.164794 0.055749 Os\n0.164794 0.835206 0.944250 Os\n0.164794 0.835206 0.555749 Os\n0.835206 0.164794 0.444251 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Th",
"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Si-Th",
"density": 13.303855907686561,
"density_atomic": 0.06138400064577108,
"volume": 162.90889962853748,
"volume_molar": 9.810603246197644,
"formula_full": "Th2 Si2 Os4 C2",
"formula_reduced": "ThSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.10903284,
"spacegroup": 63
},
{
"id": "jvasp-79474",
"created_at": "2022-09-04T14:36:40.042581Z",
"updated_at": "2022-09-04T14:36:40.042607Z",
"structure_string": "Ce2 Ga2\n1.0\n0.000000 -0.000000 4.072217\n4.336487 -0.000000 0.000000\n-2.168244 5.554882 -0.000000\nCe Ga\n2 2\ndirect\n0.250000 0.145786 0.291571 Ce\n0.750001 0.854216 0.708428 Ce\n0.250000 0.427020 0.854037 Ga\n0.750001 0.572981 0.145963 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Ga"
],
"chemical_system": "Ce-Ga",
"density": 7.104303423893916,
"density_atomic": 0.04077708646650436,
"volume": 98.09430605802922,
"volume_molar": 14.768442970899317,
"formula_full": "Ce2 Ga2",
"formula_reduced": "CeGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.4290522916666666,
"spacegroup": 63
}
]
}