{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=4375","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=4373","results":[{"id":"jvasp-92378","created_at":"2022-09-04T14:35:49.632805Z","updated_at":"2022-09-04T14:35:49.632816Z","structure_string":"Ca1 P2 Ru2\n1.0\n3.810108 -0.000000 -1.458031\n-0.557952 3.769033 -1.458031\n0.001483 0.001719 5.711151\nCa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.632685 0.632684 0.265371 P\n0.367315 0.367315 0.734629 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["Ca","P","Ru"],"chemical_system":"Ca-P-Ru","density":6.156970875456006,"density_atomic":0.060950604776677304,"volume":82.03364049167311,"volume_molar":9.88036260192182,"formula_full":"Ca1 P2 Ru2","formula_reduced":"Ca(PRu)2","formula_anonymous":"AB2C2","energy_above_hull":2.908836484000001,"spacegroup":139},{"id":"jvasp-14877","created_at":"2022-09-04T14:35:49.627605Z","updated_at":"2022-09-04T14:35:49.627625Z","structure_string":"Mg4 Ge2\n1.0\n4.922672 -0.000000 2.842106\n1.640891 4.641140 2.842106\n0.000000 0.000000 5.684213\nMg Ge\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875000 0.875001 Ge\n","nsites":6,"nelements":2,"elements":["Mg","Ge"],"chemical_system":"Ge-Mg","density":3.100736976434617,"density_atomic":0.0462014215380101,"volume":129.86613399035298,"volume_molar":13.034535647448768,"formula_full":"Mg4 Ge2","formula_reduced":"Mg2Ge","formula_anonymous":"AB2","energy_above_hull":0.3088411900000001,"spacegroup":227},{"id":"jvasp-28566","created_at":"2022-09-04T14:35:49.626751Z","updated_at":"2022-09-04T14:35:49.626772Z","structure_string":"Te2 Mo3 S4\n1.0\n3.309643 0.000000 0.000000\n-1.654821 2.862895 0.138093\n0.000000 0.968669 19.765852\nTe Mo S\n2 3 4\ndirect\n0.588857 0.177714 0.581842 Te\n0.523510 0.047019 0.776772 Te\n0.440055 0.880110 0.024974 Mo\n0.222826 0.445653 0.679375 Mo\n0.670420 0.340839 0.336640 Mo\n0.311073 0.622145 0.414284 S\n0.799391 0.598782 0.947339 S\n0.747390 0.494780 0.102577 S\n0.363076 0.726152 0.259035 S\n","nsites":9,"nelements":3,"elements":["Te","Mo","S"],"chemical_system":"Mo-S-Te","density":5.96593521310899,"density_atomic":0.04816906725616569,"volume":186.8418990165933,"volume_molar":12.502091286040336,"formula_full":"Te2 Mo3 S4","formula_reduced":"Te2Mo3S4","formula_anonymous":"A2B3C4","energy_above_hull":3.526169248148148,"spacegroup":160},{"id":"jvasp-66491","created_at":"2022-09-04T14:35:49.625784Z","updated_at":"2022-09-04T14:35:49.625812Z","structure_string":"Ba4 Hg1 Ru1\n1.0\n0.000000 4.808592 4.808592\n4.808592 -0.000000 4.808592\n4.808592 4.808592 -0.000000\nBa Hg Ru\n4 1 1\ndirect\n0.123177 0.625608 0.625608 Ba\n0.625608 0.625608 0.625608 Ba\n0.625608 0.123177 0.625608 Ba\n0.625608 0.625608 0.123177 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ru\n","nsites":6,"nelements":3,"elements":["Ba","Hg","Ru"],"chemical_system":"Ba-Hg-Ru","density":6.354458418797339,"density_atomic":0.026981585487202118,"volume":222.37388543552842,"volume_molar":22.319447324014437,"formula_full":"Ba4 Hg1 Ru1","formula_reduced":"Ba4HgRu","formula_anonymous":"ABC4","energy_above_hull":0.4897114966666666,"spacegroup":216},{"id":"jvasp-61939","created_at":"2022-09-04T14:35:49.624227Z","updated_at":"2022-09-04T14:35:49.624256Z","structure_string":"Yb1 B2 Ir3\n1.0\n4.870709 2.811864 -0.032785\n-4.870709 2.811864 -0.032785\n0.000000 0.034189 2.937611\nYb B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499998 Yb\n0.166662 0.833337 0.499998 B\n0.833337 0.166662 0.499998 B\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.500000 -0.000001 Ir\n0.500000 -0.000000 -0.000001 Ir\n","nsites":6,"nelements":3,"elements":["Yb","B","Ir"],"chemical_system":"B-Ir-Yb","density":15.915124611002058,"density_atomic":0.07455581896339045,"volume":80.4766158218477,"volume_molar":8.077358472793499,"formula_full":"Yb1 B2 Ir3","formula_reduced":"YbB2Ir3","formula_anonymous":"AB2C3","energy_above_hull":3.965946527777777,"spacegroup":191},{"id":"jvasp-75517","created_at":"2022-09-04T14:35:49.621840Z","updated_at":"2022-09-04T14:35:49.621866Z","structure_string":"Na1 Re1 As1\n1.0\n0.000000 3.132381 3.132381\n3.132381 -0.000000 3.132381\n3.132381 3.132381 0.000000\nNa Re As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 As\n","nsites":3,"nelements":3,"elements":["Na","Re","As"],"chemical_system":"As-Na-Re","density":7.675287851530242,"density_atomic":0.04880535948647656,"volume":61.468659007240134,"volume_molar":12.339097229001398,"formula_full":"Na1 Re1 As1","formula_reduced":"NaReAs","formula_anonymous":"ABC","energy_above_hull":3.0912795833333337,"spacegroup":216},{"id":"jvasp-19928","created_at":"2022-09-04T14:35:49.614807Z","updated_at":"2022-09-04T14:35:49.614832Z","structure_string":"Tm1 Cu1\n1.0\n3.398676 0.000000 0.000000\n0.000000 3.398676 0.000000\n-0.000000 0.000000 3.398676\nTm Cu\n1 1\ndirect\n0.500001 0.500001 0.500001 Tm\n0.000000 0.000000 0.000000 Cu\n","nsites":2,"nelements":2,"elements":["Tm","Cu"],"chemical_system":"Cu-Tm","density":9.833447252809592,"density_atomic":0.05094489852097026,"volume":39.25810155803426,"volume_molar":11.82089067764288,"formula_full":"Tm1 Cu1","formula_reduced":"TmCu","formula_anonymous":"AB","energy_above_hull":0.2435307,"spacegroup":221},{"id":"jvasp-96131","created_at":"2022-09-04T14:35:49.614709Z","updated_at":"2022-09-04T14:35:49.614723Z","structure_string":"H12 N4 O16\n1.0\n5.483027 0.000000 0.000000\n0.000000 8.678202 0.000000\n0.000000 0.000000 6.128878\nH N O\n12 4 16\ndirect\n0.414082 0.327897 0.879039 H\n0.914082 0.672103 0.120961 H\n0.914082 0.827897 0.620961 H\n0.414082 0.172103 0.379039 H\n0.698462 0.252509 0.913604 H\n0.451858 0.136169 0.884929 H\n0.951858 0.863831 0.115072 H\n0.198462 0.747491 0.086396 H\n0.198462 0.752509 0.586396 H\n0.951858 0.636169 0.615072 H\n0.698462 0.247491 0.413604 H\n0.451858 0.363831 0.384928 H\n0.522143 0.905962 0.700982 N\n0.022143 0.094038 0.299018 N\n0.022143 0.405962 0.799019 N\n0.522143 0.594038 0.200982 N\n0.014991 0.760465 0.054100 O\n0.514992 0.239535 0.945900 O\n0.978473 0.222257 0.389522 O\n0.478472 0.777743 0.610478 O\n0.478472 0.722257 0.110478 O\n0.978473 0.277743 0.889522 O\n0.239412 0.044239 0.287762 O\n0.739412 0.955761 0.712239 O\n0.239412 0.455761 0.787762 O\n0.848852 0.015283 0.219345 O\n0.348852 0.984717 0.780655 O\n0.348852 0.515283 0.280655 O\n0.848852 0.484717 0.719345 O\n0.014991 0.739535 0.554101 O\n0.739412 0.544238 0.212239 O\n0.514992 0.260465 0.445900 O\n","nsites":32,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.845498665893885,"density_atomic":0.10972835348761291,"volume":291.6292734093785,"volume_molar":5.488226669399383,"formula_full":"H12 N4 O16","formula_reduced":"H3NO4","formula_anonymous":"AB3C4","energy_above_hull":3.19313215625,"spacegroup":33},{"id":"jvasp-50691","created_at":"2022-09-04T14:35:49.610721Z","updated_at":"2022-09-04T14:35:49.610748Z","structure_string":"Li6 Ti2 P4 O16\n1.0\n4.593781 -0.005009 0.006257\n-2.291812 4.586888 -0.066746\n-0.020631 -2.050132 13.585653\nLi Ti P O\n6 2 4 16\ndirect\n0.362060 0.657786 0.335397 Li\n0.297859 0.657628 0.835394 Li\n0.702708 0.339123 0.164195 Li\n0.638637 0.339148 0.664201 Li\n0.044875 -0.001523 0.249789 Li\n0.955767 0.998374 0.749799 Li\n0.000363 0.998482 0.499800 Ti\n0.000267 0.998347 -0.000209 Ti\n0.632605 0.308391 0.881903 P\n0.678069 0.308530 0.381906 P\n0.322642 0.688418 0.617694 P\n0.367936 0.688325 0.117684 P\n0.789529 0.223448 0.963550 O\n0.436190 0.223590 0.463553 O\n0.828808 0.320227 0.789794 O\n0.023474 0.384695 0.587065 O\n0.493695 0.320335 0.289793 O\n0.363333 0.384574 0.087074 O\n0.637164 0.612116 0.912526 O\n0.206653 0.935954 0.635568 O\n0.977223 0.612268 0.412527 O\n0.171780 0.676565 0.209802 O\n0.564544 0.773381 0.536054 O\n0.210983 0.773228 0.036032 O\n0.794070 0.061005 0.364035 O\n0.731468 0.935848 0.135550 O\n0.506980 0.676554 0.709805 O\n0.269081 0.060859 0.864030 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","P","O"],"chemical_system":"Li-O-P-Ti","density":3.008430017239335,"density_atomic":0.09806981985527703,"volume":285.5108742049285,"volume_molar":6.140666689188329,"formula_full":"Li6 Ti2 P4 O16","formula_reduced":"Li3Ti(PO4)2","formula_anonymous":"AB2C3D8","energy_above_hull":2.566026952380952,"spacegroup":15},{"id":"jvasp-91843","created_at":"2022-09-04T14:35:49.609127Z","updated_at":"2022-09-04T14:35:49.609160Z","structure_string":"La2 Ag2 Sb4\n1.0\n4.444446 0.000000 0.000000\n-0.000000 4.444446 0.000000\n-0.000000 0.000000 10.850453\nLa Ag Sb\n2 2 4\ndirect\n0.750001 0.750001 0.260087 La\n0.250000 0.250000 0.739913 La\n0.750001 0.250000 0.000000 Ag\n0.250000 0.750001 0.000000 Ag\n0.750001 0.750001 0.828195 Sb\n0.250000 0.250000 0.171805 Sb\n0.750001 0.250000 0.500000 Sb\n0.250000 0.750001 0.500000 Sb\n","nsites":8,"nelements":3,"elements":["La","Ag","Sb"],"chemical_system":"Ag-La-Sb","density":7.597176942991957,"density_atomic":0.03732560442408707,"volume":214.33008583345048,"volume_molar":16.134074324899007,"formula_full":"La2 Ag2 Sb4","formula_reduced":"LaAgSb2","formula_anonymous":"ABC2","energy_above_hull":1.017813615,"spacegroup":129},{"id":"jvasp-67042","created_at":"2022-09-04T14:35:49.608625Z","updated_at":"2022-09-04T14:35:49.608668Z","structure_string":"Y1 Be2 Ni1\n1.0\n2.942982 0.000000 0.000000\n0.000000 2.942982 -0.000000\n0.000000 -0.000000 6.381706\nY Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.739567 Y\n0.000000 0.000000 0.079384 Be\n0.500000 0.500000 0.257093 Be\n0.000000 0.000000 0.423957 Ni\n","nsites":4,"nelements":3,"elements":["Y","Be","Ni"],"chemical_system":"Be-Ni-Y","density":4.975759146300501,"density_atomic":0.07236823603483068,"volume":55.2728685838744,"volume_molar":8.321524870526838,"formula_full":"Y1 Be2 Ni1","formula_reduced":"YBe2Ni","formula_anonymous":"ABC2","energy_above_hull":1.9054300125,"spacegroup":99},{"id":"jvasp-69084","created_at":"2022-09-04T14:35:49.606307Z","updated_at":"2022-09-04T14:35:49.606334Z","structure_string":"Ba1 Sc4 Co1\n1.0\n0.000000 4.232843 4.232843\n4.232843 -0.000000 4.232843\n4.232843 4.232843 0.000000\nBa Sc Co\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117110 0.627630 0.627630 Sc\n0.627630 0.627630 0.627630 Sc\n0.627630 0.117110 0.627630 Sc\n0.627630 0.627630 0.117110 Sc\n0.000000 0.000000 0.000000 Co\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Co"],"chemical_system":"Ba-Co-Sc","density":4.117250553856091,"density_atomic":0.03955712990532994,"volume":151.67935627178954,"volume_molar":15.22390723091509,"formula_full":"Ba1 Sc4 Co1","formula_reduced":"BaSc4Co","formula_anonymous":"ABC4","energy_above_hull":2.6087546449999994,"spacegroup":216}]}