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=-nsites&page=1099",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1097",
"results": [
{
"id": "jvasp-34552",
"created_at": "2022-09-04T14:37:12.542485Z",
"updated_at": "2022-09-04T14:37:12.542512Z",
"structure_string": "Dy6 S8\n1.0\n6.765015 -0.000000 -2.391794\n-3.382507 5.858674 -2.391794\n0.000000 0.000000 7.175381\nDy S\n6 8\ndirect\n0.124999 0.749999 0.875000 Dy\n0.624999 0.375000 0.250000 Dy\n0.375000 0.250000 0.625000 Dy\n0.749999 0.874999 0.125000 Dy\n0.249999 0.625000 0.375000 Dy\n0.874999 0.125000 0.750000 Dy\n0.643347 0.643347 0.643348 S\n-0.000001 0.856651 0.500000 S\n0.856651 0.500000 0.000000 S\n-0.000000 0.356652 0.500000 S\n0.500000 -0.000000 0.856652 S\n0.500000 -0.000000 0.356652 S\n0.356651 0.500000 0.000000 S\n0.143348 0.143348 0.143348 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 7.1908048670736,
"density_atomic": 0.049228315206448416,
"volume": 284.38917605220297,
"volume_molar": 12.233083205762766,
"formula_full": "Dy6 S8",
"formula_reduced": "Dy3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.6152570714285712,
"spacegroup": 220
},
{
"id": "jvasp-11014",
"created_at": "2022-09-04T14:37:12.522099Z",
"updated_at": "2022-09-04T14:37:12.522125Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n5.094328 -0.000000 -2.674587\n-1.404192 4.896981 -2.674587\n0.004585 0.006084 6.197649\nMn Zn O\n4 2 8\ndirect\n-0.000001 -0.000000 0.500000 Mn\n0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.374999 0.624999 0.749999 Zn\n0.625000 0.375000 0.249999 Zn\n0.754813 0.779348 0.509625 O\n0.769724 0.245186 0.990373 O\n0.220651 0.245186 0.990373 O\n0.245187 0.220651 0.490374 O\n0.245187 0.769724 0.490373 O\n0.230276 0.754813 0.009625 O\n0.754813 0.230275 0.509625 O\n0.779349 0.754813 0.009625 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.13431622003108,
"density_atomic": 0.09045243722328766,
"volume": 154.77747675764778,
"volume_molar": 6.657798225087024,
"formula_full": "Mn4 Zn2 O8",
"formula_reduced": "Mn2ZnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.448344126108374,
"spacegroup": 141
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu-Rb",
"density": 3.712175628308957,
"density_atomic": 0.03363890569272459,
"volume": 416.1847631989977,
"volume_molar": 17.902308758225942,
"formula_full": "Rb4 Cu2 Br4 Cl4",
"formula_reduced": "Rb2Cu(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-12882",
"created_at": "2022-09-04T14:37:03.912120Z",
"updated_at": "2022-09-04T14:37:03.912141Z",
"structure_string": "Rb3 Sb2 Br9\n1.0\n3.883092 -6.725713 -0.000000\n3.883092 6.725713 0.000000\n0.000000 0.000000 9.650579\nRb Sb Br\n3 2 9\ndirect\n0.000000 0.000000 0.000000 Rb\n0.666667 0.333333 0.332950 Rb\n0.333333 0.666667 0.667050 Rb\n0.666667 0.333333 0.806440 Sb\n0.333333 0.666667 0.193560 Sb\n0.835506 0.671013 0.657908 Br\n0.835506 0.164493 0.657908 Br\n0.328986 0.164493 0.657908 Br\n0.671013 0.835506 0.342092 Br\n0.164493 0.835506 0.342092 Br\n0.500000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.164493 0.328986 0.342092 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
"density": 4.015823232281272,
"density_atomic": 0.02777337502389693,
"volume": 504.0798962298978,
"volume_molar": 21.68314349559027,
"formula_full": "Rb3 Sb2 Br9",
"formula_reduced": "Rb3Sb2Br9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-56691",
"created_at": "2022-09-04T14:37:04.032499Z",
"updated_at": "2022-09-04T14:37:04.032514Z",
"structure_string": "Hg4 Mo2 O8\n1.0\n4.798086 0.029777 -1.283275\n-2.550540 6.589020 -2.078526\n0.015632 0.054746 7.364609\nHg Mo O\n4 2 8\ndirect\n0.516899 0.249167 0.467944 Hg\n0.983103 0.532058 0.750834 Hg\n0.483102 0.750834 0.532057 Hg\n0.016898 0.467944 0.249166 Hg\n0.250000 0.100179 0.899822 Mo\n0.750001 0.899822 0.100179 Mo\n0.704757 0.949541 0.335162 O\n0.295244 0.050460 0.664839 O\n0.853242 0.915900 0.818367 O\n0.353242 0.818367 0.915899 O\n0.204757 0.335162 0.949541 O\n0.646759 0.181634 0.084102 O\n0.146759 0.084101 0.181633 O\n0.795244 0.664839 0.050460 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 7.955395023699052,
"density_atomic": 0.05976635923641099,
"volume": 234.24548824568336,
"volume_molar": 10.07613787578879,
"formula_full": "Hg4 Mo2 O8",
"formula_reduced": "Hg2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.812312728571428,
"spacegroup": 15
},
{
"id": "jvasp-42385",
"created_at": "2022-09-04T14:37:13.116490Z",
"updated_at": "2022-09-04T14:37:13.116506Z",
"structure_string": "Li4 Fe2 F8\n1.0\n2.810286 0.000000 -0.000000\n-1.405144 4.780797 -0.000000\n-0.000000 0.000000 9.801758\nLi Fe F\n4 2 8\ndirect\n0.376259 0.752515 0.063144 Li\n0.376259 0.752515 0.436856 Li\n0.623744 0.247485 0.563144 Li\n0.623744 0.247485 0.936856 Li\n0.124286 0.248571 0.250000 Fe\n0.875717 0.751429 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.464024 0.928044 0.250000 F\n0.273648 0.547293 0.618543 F\n0.273648 0.547293 0.881457 F\n0.535979 0.071956 0.750000 F\n0.726355 0.452707 0.118543 F\n0.726355 0.452707 0.381457 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.6748979468295824,
"density_atomic": 0.10630978423571014,
"volume": 131.69060684912301,
"volume_molar": 5.664709794394564,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3143423757142856,
"spacegroup": 63
},
{
"id": "jvasp-50622",
"created_at": "2022-09-04T14:37:04.028543Z",
"updated_at": "2022-09-04T14:37:04.028560Z",
"structure_string": "Rb6 Er2 O6\n1.0\n7.181695 0.056529 0.130766\n3.019982 6.516108 -0.130766\n-0.769696 1.194678 7.008053\nRb Er O\n6 2 6\ndirect\n0.200648 0.200649 0.500000 Rb\n0.259803 0.259803 0.000000 Rb\n0.361256 0.638744 0.639532 Rb\n0.638744 0.361257 0.360467 Rb\n0.740197 0.740198 0.000000 Rb\n0.799351 0.799352 0.500000 Rb\n0.179257 0.820743 0.146661 Er\n0.820742 0.179258 0.853338 Er\n0.167806 0.550850 0.268063 O\n0.098427 0.901572 0.839298 O\n0.550849 0.167807 0.731937 O\n0.449150 0.832194 0.268063 O\n0.901572 0.098429 0.160702 O\n0.832193 0.449151 0.731937 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Er",
"O"
],
"chemical_system": "Er-O-Rb",
"density": 4.760977276934335,
"density_atomic": 0.04255155662511936,
"volume": 329.01264043852655,
"volume_molar": 14.152574518143394,
"formula_full": "Rb6 Er2 O6",
"formula_reduced": "Rb3ErO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6370900714285715,
"spacegroup": 12
},
{
"id": "jvasp-10032",
"created_at": "2022-09-04T14:37:07.982889Z",
"updated_at": "2022-09-04T14:37:07.982915Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n6.623730 0.249562 0.205658\n3.527992 5.611538 0.205658\n3.551826 2.050648 5.800108\nZn Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Zn\n0.625000 0.125000 0.625001 Zn\n0.970587 0.970588 0.029413 Sb\n0.279412 0.279412 0.220588 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625001 Sb\n0.383494 0.383494 0.418677 O\n0.380784 0.885969 0.366624 O\n0.383494 0.383494 0.814336 O\n0.885968 0.380785 0.366624 O\n0.364031 0.869215 0.883377 O\n0.869215 0.364031 0.883377 O\n0.866505 0.866506 0.435666 O\n0.866506 0.866506 0.831324 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 6.033987983316892,
"density_atomic": 0.06820716863470781,
"volume": 205.2570174108646,
"volume_molar": 8.829190363042837,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6647180857142856,
"spacegroup": 74
},
{
"id": "jvasp-10883",
"created_at": "2022-09-04T14:37:10.258477Z",
"updated_at": "2022-09-04T14:37:10.258497Z",
"structure_string": "K2 Tb2 Ge2 S8\n1.0\n0.000000 6.507711 0.019635\n6.669362 0.000000 0.000000\n0.000000 -2.614400 -8.140995\nTb K Ge S\n2 2 2 8\ndirect\n0.229570 0.363853 0.552256 Tb\n0.770429 0.863853 0.447743 Tb\n0.738220 0.877127 0.937123 K\n0.261779 0.377127 0.062876 K\n0.220696 0.897332 0.321114 Ge\n0.779304 0.397332 0.678885 Ge\n0.031919 0.637642 0.723356 S\n0.423353 0.900697 0.157176 S\n0.565992 0.464290 0.424193 S\n0.434007 0.964290 0.575806 S\n0.576647 0.400697 0.842823 S\n0.011693 0.624789 0.292680 S\n0.968080 0.137642 0.276643 S\n0.988307 0.124789 0.707319 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S-Tb",
"density": 3.753183944687832,
"density_atomic": 0.03966057518681861,
"volume": 352.9953848136063,
"volume_molar": 15.184199249842166,
"formula_full": "K2 Tb2 Ge2 S8",
"formula_reduced": "KTbGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2532189071428572,
"spacegroup": 4
},
{
"id": "jvasp-34492",
"created_at": "2022-09-04T14:37:17.376145Z",
"updated_at": "2022-09-04T14:37:17.376177Z",
"structure_string": "K2 Na2 S2 O8\n1.0\n2.795717 -4.842323 0.000000\n2.795717 4.842323 -0.000000\n0.000000 0.000000 7.152087\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.660487 K\n0.666667 0.333334 0.339514 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.215126 S\n0.666667 0.333334 0.784875 S\n0.811423 0.622845 0.710678 O\n0.622845 0.811423 0.289323 O\n0.188578 0.377156 0.289323 O\n0.377156 0.188578 0.710678 O\n0.666667 0.333334 0.988645 O\n0.811422 0.188579 0.710678 O\n0.188579 0.811422 0.289323 O\n0.333334 0.666667 0.011355 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Na",
"S",
"O"
],
"chemical_system": "K-Na-O-S",
"density": 2.712316591453807,
"density_atomic": 0.07229666915478535,
"volume": 193.6465422774368,
"volume_molar": 8.329762394871539,
"formula_full": "K2 Na2 S2 O8",
"formula_reduced": "KNaSO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.337995857142857,
"spacegroup": 164
},
{
"id": "jvasp-11196",
"created_at": "2022-09-04T14:37:12.440724Z",
"updated_at": "2022-09-04T14:37:12.440750Z",
"structure_string": "Ba4 Si2 Se8\n1.0\n0.000000 6.945584 0.062333\n7.068939 0.000000 0.000000\n0.000000 -2.963601 -8.751413\nBa Si Se\n4 2 8\ndirect\n0.704573 0.750000 0.918629 Ba\n0.295427 0.250000 0.081371 Ba\n0.790075 0.750000 0.457619 Ba\n0.209925 0.250000 0.542381 Ba\n0.199702 0.750000 0.285279 Si\n0.800298 0.250000 0.714721 Si\n0.988379 0.005757 0.223312 Se\n0.011621 0.505757 0.776688 Se\n0.643546 0.250000 0.451946 Se\n0.356454 0.750000 0.548054 Se\n0.589656 0.250000 0.861130 Se\n0.410343 0.750000 0.138870 Se\n0.988379 0.494243 0.223312 Se\n0.011621 0.994243 0.776688 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Se"
],
"chemical_system": "Ba-Se-Si",
"density": 4.795736647944426,
"density_atomic": 0.032682009032395494,
"volume": 428.37023838169597,
"volume_molar": 18.42647052092377,
"formula_full": "Ba4 Si2 Se8",
"formula_reduced": "Ba2SiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1208277152380952,
"spacegroup": 11
}
]
}