{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3418","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3416","results":[{"id":"jvasp-10077","created_at":"2022-09-04T14:38:06.665944Z","updated_at":"2022-09-04T14:38:06.665963Z","structure_string":"Zr2 Tl2 Cu2 S6\n1.0\n3.735856 0.000000 0.000000\n-1.867928 7.048835 0.000000\n0.000000 -0.000000 9.814151\nZr Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255911 0.511824 0.250000 Tl\n0.744089 0.488176 0.750000 Tl\n0.460412 0.920825 0.750000 Cu\n0.539588 0.079175 0.250000 Cu\n0.376127 0.752253 0.549088 S\n0.623874 0.247746 0.450912 S\n0.623874 0.247746 0.049088 S\n0.061687 0.123374 0.750000 S\n0.938314 0.876625 0.250000 S\n0.376127 0.752253 0.950912 S\n","nsites":12,"nelements":4,"elements":["Zr","Tl","Cu","S"],"chemical_system":"Cu-S-Tl-Zr","density":5.851437955171302,"density_atomic":0.0464323899221221,"volume":258.4402831757484,"volume_molar":12.969698027821806,"formula_full":"Zr2 Tl2 Cu2 S6","formula_reduced":"ZrTlCuS3","formula_anonymous":"ABCD3","energy_above_hull":1.4675262583333335,"spacegroup":63},{"id":"jvasp-18298","created_at":"2022-09-04T14:38:06.696006Z","updated_at":"2022-09-04T14:38:06.696034Z","structure_string":"Ba2 In4 Ir2\n1.0\n4.410352 -0.000000 -0.000000\n-2.205176 5.862457 0.000000\n-0.000000 0.000000 8.235899\nBa In Ir\n2 4 2\ndirect\n0.944848 0.889700 0.250000 Ba\n0.055150 0.110301 0.750000 Ba\n0.338427 0.676856 0.554379 In\n0.661572 0.323144 0.445622 In\n0.338427 0.676856 0.945622 In\n0.661572 0.323144 0.054379 In\n0.779282 0.558565 0.750000 Ir\n0.220717 0.441435 0.250000 Ir\n","nsites":8,"nelements":3,"elements":["Ba","In","Ir"],"chemical_system":"Ba-In-Ir","density":8.72101006464887,"density_atomic":0.03756869000811309,"volume":212.94327798686544,"volume_molar":16.029679924158913,"formula_full":"Ba2 In4 Ir2","formula_reduced":"BaIn2Ir","formula_anonymous":"ABC2","energy_above_hull":0.7409392524999999,"spacegroup":63},{"id":"jvasp-43070","created_at":"2022-09-04T14:38:06.733052Z","updated_at":"2022-09-04T14:38:06.733076Z","structure_string":"Li4 Mn2 F8\n1.0\n2.933193 0.000000 0.000000\n-1.466596 4.748175 0.000000\n0.000000 -0.000000 9.733823\nLi Mn F\n4 2 8\ndirect\n0.374542 0.749087 0.438113 Li\n0.374542 0.749087 0.061887 Li\n0.625457 0.250914 0.561887 Li\n0.625457 0.250914 0.938113 Li\n0.119499 0.238999 0.250000 Mn\n0.880499 0.761002 0.750000 Mn\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.458215 0.916436 0.250000 F\n0.276855 0.553713 0.617227 F\n0.276855 0.553713 0.882772 F\n0.541783 0.083565 0.750000 F\n0.723143 0.446288 0.117227 F\n0.723143 0.446288 0.382772 F\n","nsites":14,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.547625883098554,"density_atomic":0.10327072690967751,"volume":135.56600615627175,"volume_molar":5.831411223886393,"formula_full":"Li4 Mn2 F8","formula_reduced":"Li2MnF4","formula_anonymous":"AB2C4","energy_above_hull":0.4199054816256155,"spacegroup":63},{"id":"jvasp-37101","created_at":"2022-09-04T14:38:06.819546Z","updated_at":"2022-09-04T14:38:06.819565Z","structure_string":"Sc2 Al2\n1.0\n0.000000 0.000000 4.358920\n3.339671 0.000000 0.000000\n-1.669836 5.548211 -0.000000\nSc Al\n2 2\ndirect\n0.250000 0.162336 0.324673 Sc\n0.750000 0.837662 0.675327 Sc\n0.250000 0.429535 0.859075 Al\n0.750000 0.570463 0.140925 Al\n","nsites":4,"nelements":2,"elements":["Sc","Al"],"chemical_system":"Al-Sc","density":2.9580028153187063,"density_atomic":0.04952499478340285,"volume":80.7672977552843,"volume_molar":12.159800897178853,"formula_full":"Sc2 Al2","formula_reduced":"ScAl","formula_anonymous":"AB","energy_above_hull":1.209834025,"spacegroup":63},{"id":"jvasp-37012","created_at":"2022-09-04T14:38:06.965632Z","updated_at":"2022-09-04T14:38:06.965649Z","structure_string":"Tm2 Ge2\n1.0\n0.000000 -0.000000 3.932519\n4.182193 0.000000 0.000000\n-2.091096 5.287661 -0.000000\nTm Ge\n2 2\ndirect\n0.250000 0.137202 0.274404 Tm\n0.750000 0.862796 0.725595 Tm\n0.250000 0.410392 0.820784 Ge\n0.750000 0.589607 0.179215 Ge\n","nsites":4,"nelements":2,"elements":["Tm","Ge"],"chemical_system":"Ge-Tm","density":9.225526413945117,"density_atomic":0.045996150556861994,"volume":86.96379917826091,"volume_molar":13.092705991896489,"formula_full":"Tm2 Ge2","formula_reduced":"TmGe","formula_anonymous":"AB","energy_above_hull":0.2893601000000001,"spacegroup":63},{"id":"jvasp-46323","created_at":"2022-09-04T14:38:07.037765Z","updated_at":"2022-09-04T14:38:07.037793Z","structure_string":"Sc2 Cr2 O8\n1.0\n2.841546 4.189039 -0.000000\n-2.841546 4.189039 -0.000000\n0.000000 0.000000 6.568383\nSc Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.362999 0.362999 0.250000 Cr\n0.637002 0.637002 0.750000 Cr\n0.263098 0.782303 0.750000 O\n0.217696 0.736902 0.250000 O\n0.247378 0.247378 0.043083 O\n0.247378 0.247378 0.456917 O\n0.752623 0.752623 0.543082 O\n0.752623 0.752623 0.956917 O\n0.736902 0.217696 0.250000 O\n0.782303 0.263098 0.750000 O\n","nsites":12,"nelements":3,"elements":["Sc","Cr","O"],"chemical_system":"Cr-O-Sc","density":3.41831018106706,"density_atomic":0.07674033440543186,"volume":156.37148434357894,"volume_molar":7.84742574639307,"formula_full":"Sc2 Cr2 O8","formula_reduced":"ScCrO4","formula_anonymous":"ABC4","energy_above_hull":2.7050811083333333,"spacegroup":63},{"id":"jvasp-109497","created_at":"2022-09-04T14:38:07.081247Z","updated_at":"2022-09-04T14:38:07.081279Z","structure_string":"Pb4 O6\n1.0\n8.222548 0.000000 0.000000\n-0.000000 3.280779 0.859629\n-0.000000 0.220215 5.843794\nPb O\n4 6\ndirect\n0.500000 0.000000 -0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.750000 0.730480 0.538076 Pb\n0.250000 0.269522 0.461924 Pb\n0.750000 0.077639 0.844610 O\n0.250000 0.922363 0.155389 O\n0.538888 0.372057 0.256190 O\n0.038888 0.627945 0.743809 O\n0.461112 0.627945 0.743809 O\n0.961112 0.372057 0.256190 O\n","nsites":10,"nelements":2,"elements":["Pb","O"],"chemical_system":"O-Pb","density":9.838443610989929,"density_atomic":0.06406652567546657,"volume":156.08775245056512,"volume_molar":9.399824161693381,"formula_full":"Pb4 O6","formula_reduced":"Pb2O3","formula_anonymous":"A2B3","energy_above_hull":1.4233804279999998,"spacegroup":63},{"id":"jvasp-14766","created_at":"2022-09-04T14:38:07.799122Z","updated_at":"2022-09-04T14:38:07.799139Z","structure_string":"Ca2 Ag2\n1.0\n3.796300 -0.000000 -1.344627\n-0.000000 4.660555 0.000000\n-0.023404 -0.000000 5.965307\nCa Ag\n2 2\ndirect\n0.859524 0.250000 0.719046 Ca\n0.140477 0.749999 0.280954 Ca\n0.577919 0.250000 0.155837 Ag\n0.422082 0.749999 0.844164 Ag\n","nsites":4,"nelements":2,"elements":["Ca","Ag"],"chemical_system":"Ag-Ca","density":4.661824004272796,"density_atomic":0.03795185055348423,"volume":105.39670507931986,"volume_molar":15.867844840696778,"formula_full":"Ca2 Ag2","formula_reduced":"CaAg","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":63},{"id":"jvasp-109908","created_at":"2022-09-04T14:38:07.165001Z","updated_at":"2022-09-04T14:38:07.165023Z","structure_string":"Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n","nsites":10,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.9377454859787635,"density_atomic":0.09974261324122596,"volume":100.25805094774442,"volume_molar":6.037680951305683,"formula_full":"Li2 Mn2 F6","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy_above_hull":0.4177316177758621,"spacegroup":63},{"id":"jvasp-35259","created_at":"2022-09-04T14:38:07.405105Z","updated_at":"2022-09-04T14:38:07.405139Z","structure_string":"Al2 Sb2\n1.0\n2.809034 3.312357 0.003599\n-2.809034 3.312357 0.003599\n0.000000 -0.006600 5.342379\nAl Sb\n2 2\ndirect\n0.371404 0.371404 0.750023 Al\n0.628597 0.628597 0.249977 Al\n0.793464 0.793464 0.749999 Sb\n0.206537 0.206537 0.250002 Sb\n","nsites":4,"nelements":2,"elements":["Al","Sb"],"chemical_system":"Al-Sb","density":4.968805025880433,"density_atomic":0.040234683017038655,"volume":99.41671463662514,"volume_molar":14.967536235962722,"formula_full":"Al2 Sb2","formula_reduced":"AlSb","formula_anonymous":"AB","energy_above_hull":1.0849094500000005,"spacegroup":63},{"id":"jvasp-33884","created_at":"2022-09-04T14:38:07.407844Z","updated_at":"2022-09-04T14:38:07.407867Z","structure_string":"H2 C2\n1.0\n-0.039833 0.000000 2.467447\n-2.570631 2.816785 -0.033826\n-2.570631 -2.816785 -0.033826\nH C\n2 2\ndirect\n0.251697 0.223179 0.223179 H\n0.748301 0.776820 0.776820 H\n0.250368 0.436571 0.436571 C\n0.749630 0.563428 0.563428 C\n","nsites":4,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.2097097949531659,"density_atomic":0.11191710757001128,"volume":35.74073782685766,"volume_molar":5.380893851489834,"formula_full":"H2 C2","formula_reduced":"HC","formula_anonymous":"AB","energy_above_hull":2.882995,"spacegroup":63},{"id":"jvasp-38141","created_at":"2022-09-04T14:38:07.735710Z","updated_at":"2022-09-04T14:38:07.735720Z","structure_string":"Y2 W2 N6\n1.0\n0.875117 3.348486 0.000000\n0.000000 -0.000000 6.048676\n6.818804 0.006523 -0.000000\nY W N\n2 2 6\ndirect\n0.314614 0.250000 0.370772 Y\n0.685387 0.750001 0.629228 Y\n0.930126 0.750001 0.139750 W\n0.069874 0.250000 0.860250 W\n0.840127 0.982589 0.319748 N\n0.159873 0.482589 0.680252 N\n0.498161 0.750001 0.003680 N\n0.159873 0.017412 0.680252 N\n0.840127 0.517412 0.319748 N\n0.501840 0.250000 0.996320 N\n","nsites":10,"nelements":3,"elements":["Y","W","N"],"chemical_system":"N-W-Y","density":7.571090090164721,"density_atomic":0.07242551210728068,"volume":138.0728932256281,"volume_molar":8.314943981451828,"formula_full":"Y2 W2 N6","formula_reduced":"YWN3","formula_anonymous":"ABC3","energy_above_hull":5.36016904,"spacegroup":63}]}