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=4180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4178",
"results": [
{
"id": "jvasp-12833",
"created_at": "2022-09-04T14:37:12.446882Z",
"updated_at": "2022-09-04T14:37:12.446912Z",
"structure_string": "K4 B4 S14\n1.0\n6.408078 -0.000000 2.208989\n2.920458 7.289569 1.927139\n-0.035559 0.050369 10.502274\nK B S\n4 4 14\ndirect\n0.869322 0.315565 0.477694 K\n0.130678 0.684436 0.522306 K\n0.662580 0.184436 0.022306 K\n0.337421 0.815565 0.977694 K\n0.841257 0.617431 0.149087 B\n0.607774 0.882569 0.350912 B\n0.158744 0.382569 0.850912 B\n0.392226 0.117431 0.649087 B\n0.095543 0.112116 0.730501 S\n0.061840 0.612116 0.230501 S\n0.148791 0.624859 0.839127 S\n0.387223 0.124859 0.339127 S\n0.851209 0.375141 0.160873 S\n0.612777 0.875141 0.660873 S\n0.841029 0.757650 0.973794 S\n0.572474 0.742350 0.526206 S\n0.457597 0.250000 0.750000 S\n0.427526 0.257650 0.473794 S\n0.904458 0.887884 0.269499 S\n0.938160 0.387884 0.769498 S\n0.542404 0.750000 0.250000 S\n0.158971 0.242350 0.026206 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"B",
"S"
],
"chemical_system": "B-K-S",
"density": 2.193986072871354,
"density_atomic": 0.044819381710273526,
"volume": 490.8590694582729,
"volume_molar": 13.436465498183347,
"formula_full": "K4 B4 S14",
"formula_reduced": "K2B2S7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.172178287878788,
"spacegroup": 15
},
{
"id": "jvasp-34190",
"created_at": "2022-09-04T14:37:08.530154Z",
"updated_at": "2022-09-04T14:37:08.530173Z",
"structure_string": "Rh6 Se16\n1.0\n0.000000 6.038465 0.006282\n6.042754 0.000000 0.000000\n0.000000 -5.892413 -12.117721\nRh Se\n6 16\ndirect\n0.257545 0.985376 0.251013 Rh\n0.742455 0.014623 0.748987 Rh\n0.500000 0.000000 0.000000 Rh\n0.742455 0.485377 0.248987 Rh\n0.257545 0.514623 0.751013 Rh\n0.500000 0.500000 0.500000 Rh\n0.808576 0.875064 0.191353 Se\n0.824961 0.886762 0.939891 Se\n0.808576 0.624935 0.691352 Se\n0.824961 0.613237 0.439891 Se\n0.323865 0.619812 0.943603 Se\n0.308378 0.607929 0.187646 Se\n0.191423 0.375064 0.308648 Se\n0.676135 0.380187 0.056397 Se\n0.691622 0.392071 0.812354 Se\n0.308378 0.892070 0.687646 Se\n0.676136 0.119813 0.556397 Se\n0.175038 0.113237 0.060109 Se\n0.691622 0.107929 0.312354 Se\n0.191424 0.124936 0.808648 Se\n0.175039 0.386762 0.560109 Se\n0.323864 0.880187 0.443604 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.066875411206551,
"density_atomic": 0.04978058757323464,
"volume": 441.93933965995745,
"volume_molar": 12.097367776425973,
"formula_full": "Rh6 Se16",
"formula_reduced": "Rh3Se8",
"formula_anonymous": "A3B8",
"energy_above_hull": 2.1440541757575757,
"spacegroup": 14
},
{
"id": "jvasp-34740",
"created_at": "2022-09-04T14:37:08.189246Z",
"updated_at": "2022-09-04T14:37:08.189275Z",
"structure_string": "Er4 Hf4 O14\n1.0\n6.381066 -0.000000 3.684110\n2.127023 6.016127 3.684110\n0.000000 0.000000 7.368221\nEr Hf O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Er\n0.500000 0.500000 -0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Hf\n-0.000000 -0.000000 0.500000 Hf\n-0.000000 0.500000 0.000000 Hf\n0.500000 0.000000 -0.000000 Hf\n0.339939 0.910061 0.339939 O\n0.339939 0.339939 0.910061 O\n0.625000 0.625000 0.625000 O\n0.089939 0.660061 0.089939 O\n0.910061 0.339939 0.339939 O\n0.910061 0.910061 0.339939 O\n0.660061 0.089939 0.089939 O\n0.660061 0.089939 0.660061 O\n0.910061 0.339939 0.910061 O\n0.089939 0.660061 0.660061 O\n0.660061 0.660061 0.089939 O\n0.339939 0.910061 0.910061 O\n0.089939 0.089939 0.660061 O\n0.375000 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Hf",
"O"
],
"chemical_system": "Er-Hf-O",
"density": 9.433845238967406,
"density_atomic": 0.07777675241853216,
"volume": 282.8608718658453,
"volume_molar": 7.742854481238383,
"formula_full": "Er4 Hf4 O14",
"formula_reduced": "Er2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.014828227272728,
"spacegroup": 227
},
{
"id": "jvasp-34149",
"created_at": "2022-09-04T14:37:19.983329Z",
"updated_at": "2022-09-04T14:37:19.983368Z",
"structure_string": "Er4 Ru4 O14\n1.0\n6.193062 -0.000000 3.575566\n2.064354 5.838876 3.575566\n0.000000 -0.000000 7.151133\nEr Ru O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.499999 0.500000 0.000001 Er\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.086371 0.663629 0.086372 O\n0.663628 0.086371 0.663629 O\n0.663628 0.086371 0.086372 O\n0.624999 0.625000 0.625001 O\n0.913628 0.336372 0.336372 O\n0.336370 0.913629 0.336372 O\n0.336371 0.336372 0.913629 O\n0.913627 0.913629 0.336373 O\n0.913628 0.336372 0.913629 O\n0.086371 0.663629 0.663629 O\n0.336370 0.913629 0.913629 O\n0.375000 0.375000 0.375000 O\n0.663628 0.663629 0.086372 O\n0.086371 0.086371 0.663628 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Ru",
"O"
],
"chemical_system": "Er-O-Ru",
"density": 8.330719741490109,
"density_atomic": 0.08507719160200967,
"volume": 258.5886955803125,
"volume_molar": 7.078443289679235,
"formula_full": "Er4 Ru4 O14",
"formula_reduced": "Er2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.926731409090909,
"spacegroup": 227
},
{
"id": "jvasp-57469",
"created_at": "2022-09-04T14:37:12.635380Z",
"updated_at": "2022-09-04T14:37:12.635403Z",
"structure_string": "Dy4 Tc4 O14\n1.0\n6.282831 -0.000000 3.627394\n2.094277 5.923509 3.627394\n-0.000000 -0.000000 7.254788\nDy Tc O\n4 4 14\ndirect\n0.500000 0.000000 -0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 -0.000001 Tc\n0.000000 0.500000 0.500000 Tc\n0.500000 0.000000 0.500000 Tc\n0.875000 0.875000 0.874999 O\n0.162286 0.587715 0.162285 O\n0.412286 0.837715 0.412285 O\n0.162286 0.162286 0.587714 O\n0.125000 0.125000 0.125000 O\n0.587714 0.162286 0.162285 O\n0.837715 0.412286 0.412285 O\n0.587715 0.587715 0.162285 O\n0.837715 0.837715 0.412285 O\n0.162286 0.587715 0.587714 O\n0.837715 0.412286 0.837714 O\n0.587714 0.162286 0.587714 O\n0.412286 0.412286 0.837714 O\n0.412286 0.837715 0.837714 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Tc",
"O"
],
"chemical_system": "Dy-O-Tc",
"density": 7.786114123697248,
"density_atomic": 0.08148234595993531,
"volume": 269.99713546315115,
"volume_molar": 7.390730702526746,
"formula_full": "Dy4 Tc4 O14",
"formula_reduced": "Dy2Tc2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.127549136363636,
"spacegroup": 227
},
{
"id": "jvasp-13412",
"created_at": "2022-09-04T14:37:15.591618Z",
"updated_at": "2022-09-04T14:37:15.591641Z",
"structure_string": "Ag2 Xe2 F18\n1.0\n5.380944 -0.000001 -1.424135\n-0.376914 5.367727 -1.424135\n0.084488 0.090629 11.196962\nAg Xe F\n2 2 18\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.151106 0.151106 0.302212 Xe\n0.848895 0.848895 0.697789 Xe\n0.634050 0.096196 0.872651 F\n0.776456 0.634050 0.872652 F\n0.096196 0.238603 0.872651 F\n0.238603 0.776456 0.872652 F\n0.761397 0.223544 0.127349 F\n0.903805 0.761398 0.127349 F\n0.984427 0.514948 0.659195 F\n0.365951 0.903805 0.127349 F\n0.674768 0.144247 0.659195 F\n0.015574 0.485053 0.340806 F\n0.855753 0.015574 0.340806 F\n0.485053 0.325232 0.340806 F\n0.325233 0.855754 0.340806 F\n0.754159 0.754159 0.508319 F\n0.245842 0.245842 0.491682 F\n0.223544 0.365950 0.127349 F\n0.514948 0.674769 0.659195 F\n0.144247 0.984427 0.659195 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ag",
"Xe",
"F"
],
"chemical_system": "Ag-F-Xe",
"density": 4.193803582100144,
"density_atomic": 0.06773487224368323,
"volume": 324.79577020316384,
"volume_molar": 8.890753847345758,
"formula_full": "Ag2 Xe2 F18",
"formula_reduced": "AgXeF9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.0,
"spacegroup": 87
},
{
"id": "jvasp-49170",
"created_at": "2022-09-04T14:37:11.038118Z",
"updated_at": "2022-09-04T14:37:11.038139Z",
"structure_string": "Tl4 Pt4 O14\n1.0\n6.305801 -0.000000 3.640656\n2.101934 5.945166 3.640656\n0.000000 -0.000000 7.281312\nTl Pt O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.499999 0.500000 0.500001 Pt\n0.499999 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.833798 0.416201 0.416202 O\n0.416201 0.416201 0.833799 O\n0.833798 0.833800 0.416202 O\n0.166200 0.583799 0.583799 O\n0.874999 0.875001 0.875001 O\n0.833798 0.416201 0.833800 O\n0.416200 0.833800 0.416202 O\n0.166200 0.583799 0.166201 O\n0.166201 0.166201 0.583799 O\n0.583798 0.583799 0.166202 O\n0.583799 0.166201 0.583799 O\n0.416200 0.833800 0.833800 O\n0.125000 0.125000 0.125000 O\n0.583799 0.166201 0.166201 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"O"
],
"chemical_system": "O-Pt-Tl",
"density": 11.082823112394856,
"density_atomic": 0.08059512878974795,
"volume": 272.9693510062173,
"volume_molar": 7.472090249660402,
"formula_full": "Tl4 Pt4 O14",
"formula_reduced": "Tl2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2145884090909087,
"spacegroup": 227
},
{
"id": "jvasp-50103",
"created_at": "2022-09-04T14:37:27.511658Z",
"updated_at": "2022-09-04T14:37:27.511679Z",
"structure_string": "Ba2 Na12 O8\n1.0\n8.091225 0.000000 0.000000\n0.000000 8.091225 -0.000000\n0.000000 -0.000000 5.662559\nBa Na O\n2 12 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.786425 0.786425 0.000000 Na\n0.786425 0.213576 0.000000 Na\n0.000000 0.500000 0.483016 Na\n0.213576 0.786425 0.000000 Na\n0.213576 0.213576 0.000000 Na\n0.000000 0.500000 0.983016 Na\n0.286425 0.713576 0.500000 Na\n0.500000 0.000000 0.016984 Na\n0.500000 0.000000 0.516984 Na\n0.713576 0.286425 0.500000 Na\n0.713576 0.713576 0.500000 Na\n0.286425 0.286425 0.500000 Na\n0.000000 0.730564 0.734884 O\n0.730564 0.000000 0.265116 O\n0.500000 0.230564 0.765116 O\n0.500000 0.769437 0.765116 O\n0.269437 0.000000 0.265116 O\n0.230564 0.500000 0.234884 O\n0.000000 0.269437 0.734884 O\n0.769437 0.500000 0.234884 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 3.0393070040909302,
"density_atomic": 0.05934462425359546,
"volume": 370.71597093593704,
"volume_molar": 10.147744358892192,
"formula_full": "Ba2 Na12 O8",
"formula_reduced": "BaNa6O4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4270033409090907,
"spacegroup": 137
},
{
"id": "jvasp-29862",
"created_at": "2022-09-04T14:37:12.864974Z",
"updated_at": "2022-09-04T14:37:12.864999Z",
"structure_string": "Mo4 H4 O14\n1.0\n8.969751 0.000000 -2.073539\n0.000000 3.778309 0.000000\n0.028266 0.000000 7.173280\nMo H O\n4 4 14\ndirect\n0.968953 0.252955 0.187021 Mo\n0.031047 0.752955 0.812979 Mo\n0.436925 0.704923 0.167781 Mo\n0.563075 0.204923 0.832219 Mo\n0.712372 0.959020 0.322519 H\n0.287628 0.459020 0.677481 H\n0.280123 0.874316 0.394686 H\n0.719878 0.374316 0.605314 H\n0.258001 0.759900 0.018402 O\n0.741999 0.259899 0.981598 O\n0.533089 0.740651 0.890206 O\n0.466911 0.240651 0.109794 O\n0.849029 0.731776 0.690427 O\n0.150971 0.231776 0.309573 O\n0.873672 0.232276 0.366022 O\n0.962369 0.748190 0.103950 O\n0.126328 0.732276 0.633978 O\n0.377949 0.758851 0.393770 O\n0.360358 0.263873 0.711823 O\n0.639643 0.763873 0.288177 O\n0.037631 0.248189 0.896050 O\n0.622051 0.258851 0.606230 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 4.174992395247334,
"density_atomic": 0.09041315237236083,
"volume": 243.3274299450858,
"volume_molar": 6.6606910631743,
"formula_full": "Mo4 H4 O14",
"formula_reduced": "Mo2H2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.584952390909091,
"spacegroup": 4
},
{
"id": "jvasp-19060",
"created_at": "2022-09-04T14:37:08.549524Z",
"updated_at": "2022-09-04T14:37:08.549542Z",
"structure_string": "Dy4 Hf4 O14\n1.0\n6.414079 -0.000000 3.703170\n2.138026 6.047251 3.703170\n0.000000 -0.000000 7.406340\nDy Hf O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 -0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 -0.000000 Hf\n0.088373 0.661627 0.088373 O\n0.661628 0.088373 0.661627 O\n0.661628 0.088373 0.088373 O\n0.625001 0.625000 0.625000 O\n0.911628 0.338373 0.338373 O\n0.338373 0.911627 0.338372 O\n0.338373 0.338373 0.911627 O\n0.911628 0.911627 0.338372 O\n0.911628 0.338373 0.911627 O\n0.088373 0.661627 0.661627 O\n0.338373 0.911627 0.911627 O\n0.375000 0.375000 0.375000 O\n0.661628 0.661627 0.088372 O\n0.088373 0.088373 0.661627 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Hf",
"O"
],
"chemical_system": "Dy-Hf-O",
"density": 9.17889525265988,
"density_atomic": 0.07658200561919842,
"volume": 287.2737508259355,
"volume_molar": 7.863649836940682,
"formula_full": "Dy4 Hf4 O14",
"formula_reduced": "Dy2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.024153954545455,
"spacegroup": 227
},
{
"id": "jvasp-49721",
"created_at": "2022-09-04T14:37:16.875427Z",
"updated_at": "2022-09-04T14:37:16.875436Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.354998 0.006613 -0.267154\n-0.278897 6.348879 -0.267154\n0.006321 0.006613 6.360609\nCa Sc Co O\n6 2 2 12\ndirect\n0.750000 0.380405 0.119596 Ca\n0.119595 0.750000 0.380406 Ca\n0.380405 0.119595 0.750000 Ca\n0.619595 0.880405 0.250001 Ca\n0.880405 0.249999 0.619596 Ca\n0.250000 0.619595 0.880406 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.456837 0.791248 0.588067 O\n0.411934 0.543162 0.208753 O\n0.208752 0.411934 0.543163 O\n0.588066 0.456837 0.791249 O\n0.708752 0.043162 0.911934 O\n0.956838 0.088066 0.291249 O\n0.291248 0.956838 0.088067 O\n0.911934 0.708752 0.043163 O\n0.043162 0.911934 0.708753 O\n0.088066 0.291248 0.956838 O\n0.543162 0.208752 0.411934 O\n0.791248 0.588066 0.456839 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.1421160086633595,
"density_atomic": 0.08571438360594634,
"volume": 256.66637353586214,
"volume_molar": 7.025822862689549,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8259816736363637,
"spacegroup": 167
},
{
"id": "jvasp-103922",
"created_at": "2022-09-04T14:37:07.702987Z",
"updated_at": "2022-09-04T14:37:07.703014Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.984261 -0.089927 0.998567\n2.263632 3.978225 0.677652\n0.191073 -0.356537 11.654953\nZn H C O\n1 10 7 4\ndirect\n0.820449 0.869417 0.816495 Zn\n0.266747 0.101557 0.430833 H\n0.417003 0.121091 0.200851 H\n0.926301 0.307339 0.202311 H\n0.799469 0.781837 0.323888 H\n0.290810 0.598431 0.320292 H\n0.437768 0.637361 0.102249 H\n0.954643 0.817017 0.099565 H\n0.134685 0.624048 0.534865 H\n0.645169 0.758629 0.556720 H\n0.772635 0.286696 0.438043 H\n0.929760 0.341385 0.659839 C\n0.927569 0.533194 0.544562 C\n0.006289 0.343394 0.433721 C\n0.060364 0.539545 0.320947 C\n0.156448 0.362712 0.204891 C\n0.213252 0.575572 0.098212 C\n0.331328 0.432629 0.975178 C\n0.282866 0.635823 0.888611 O\n0.980338 0.426623 0.750198 O\n0.884807 0.085476 0.661800 O\n0.488807 0.117540 0.964355 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9905940077669384,
"density_atomic": 0.11796697048920878,
"volume": 186.4928793946818,
"volume_molar": 5.104938047511261,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.367237018181818,
"spacegroup": 1
}
]
}