{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3444","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3442","results":[{"id":"jvasp-50801","created_at":"2022-09-04T14:37:08.084739Z","updated_at":"2022-09-04T14:37:08.084760Z","structure_string":"Li12 Cu4 S8\n1.0\n-3.927884 3.927884 5.969496\n3.927884 -3.927884 5.969496\n3.927884 3.927884 -5.969496\nLi Cu S\n12 4 8\ndirect\n0.843759 0.156241 0.250000 Li\n0.406240 0.156240 0.812482 Li\n0.593759 0.406240 0.749999 Li\n0.156240 0.406240 0.312483 Li\n-0.000000 -0.000000 0.499999 Li\n0.000000 0.500000 0.000000 Li\n0.156240 0.843759 0.749999 Li\n0.406241 0.593760 0.250000 Li\n0.843759 0.593760 0.687516 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.593760 0.843760 0.187517 Li\n0.246865 0.496865 0.749999 Cu\n0.503134 0.753134 0.749999 Cu\n0.496866 0.246866 0.250000 Cu\n0.753134 0.503135 0.250000 Cu\n0.210702 0.232844 0.977858 S\n0.789298 0.767156 0.022141 S\n0.754985 0.232845 0.522140 S\n0.232844 0.210703 0.477859 S\n0.767155 0.245015 0.977858 S\n0.232845 0.754985 0.022141 S\n0.767156 0.789297 0.522140 S\n0.245015 0.767155 0.477859 S\n","nsites":24,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":2.6774270946365157,"density_atomic":0.0651472784763978,"volume":368.39604909505096,"volume_molar":9.243886929492781,"formula_full":"Li12 Cu4 S8","formula_reduced":"Li3CuS2","formula_anonymous":"AB2C3","energy_above_hull":0.8256784083333335,"spacegroup":141},{"id":"jvasp-9698","created_at":"2022-09-04T14:37:08.008836Z","updated_at":"2022-09-04T14:37:08.008867Z","structure_string":"Na6 Al2 P4\n1.0\n5.597653 -0.000000 -2.293655\n-1.164982 5.985296 -2.843134\n0.026284 0.043561 8.041495\nNa Al P\n6 2 4\ndirect\n0.749990 0.500000 -0.000000 Na\n0.250010 0.500000 0.000000 Na\n0.808970 0.001089 0.617943 Na\n0.308959 0.616845 0.617919 Na\n0.691040 0.383156 0.382082 Na\n0.191028 -0.001089 0.382057 Na\n0.250002 0.000000 -0.000000 Al\n0.749998 0.000000 -0.000001 Al\n0.397791 0.096338 0.795584 P\n0.602209 0.903662 0.204416 P\n0.897791 0.699246 0.795583 P\n0.102208 0.300755 0.204417 P\n","nsites":12,"nelements":3,"elements":["Na","Al","P"],"chemical_system":"Al-Na-P","density":1.9379636307654071,"density_atomic":0.04434760058792823,"volume":270.58961118330484,"volume_molar":13.579406056162766,"formula_full":"Na6 Al2 P4","formula_reduced":"Na3AlP2","formula_anonymous":"AB2C3","energy_above_hull":0.9191884666666668,"spacegroup":72},{"id":"jvasp-10550","created_at":"2022-09-04T14:37:08.319185Z","updated_at":"2022-09-04T14:37:08.319211Z","structure_string":"Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n","nsites":12,"nelements":3,"elements":["Rb","B","As"],"chemical_system":"As-B-Rb","density":3.37109212466193,"density_atomic":0.029206312936137267,"volume":410.87007546071584,"volume_molar":20.619311904135436,"formula_full":"Rb6 B2 As4","formula_reduced":"Rb3BAs2","formula_anonymous":"AB2C3","energy_above_hull":1.094796013888889,"spacegroup":15},{"id":"jvasp-12933","created_at":"2022-09-04T14:37:10.378896Z","updated_at":"2022-09-04T14:37:10.378915Z","structure_string":"Y4 N2 Cl6\n1.0\n3.749212 0.000000 0.771663\n1.416510 7.398493 2.611548\n-0.032304 -0.027228 9.650786\nY N Cl\n4 2 6\ndirect\n0.136036 0.022703 0.705226 Y\n0.863965 0.977296 0.294774 Y\n0.410904 0.227837 0.950357 Y\n0.589097 0.772162 0.049643 Y\n0.575787 0.006014 0.842413 N\n0.424214 0.993986 0.157587 N\n0.946918 0.366481 0.739682 Cl\n0.053083 0.633518 0.260319 Cl\n0.338166 0.806321 0.517348 Cl\n0.661835 0.193679 0.482653 Cl\n0.227644 0.658769 0.885947 Cl\n0.772357 0.341231 0.114054 Cl\n","nsites":12,"nelements":3,"elements":["Y","N","Cl"],"chemical_system":"Cl-N-Y","density":3.6933883734968322,"density_atomic":0.04475611768208812,"volume":268.11977046888785,"volume_molar":13.455458319187782,"formula_full":"Y4 N2 Cl6","formula_reduced":"Y2NCl3","formula_anonymous":"AB2C3","energy_above_hull":1.7034277254166668,"spacegroup":12},{"id":"jvasp-10485","created_at":"2022-09-04T14:37:10.612164Z","updated_at":"2022-09-04T14:37:10.612183Z","structure_string":"Rb4 Sn2 Se6\n1.0\n7.129781 -0.049723 -0.046821\n3.130909 7.198435 0.055557\n2.744018 1.388785 8.406781\nRb Sn Se\n4 2 6\ndirect\n0.640348 0.467196 0.686653 Rb\n0.359652 0.532804 0.313348 Rb\n0.905159 0.797762 0.877980 Rb\n0.094841 0.202238 0.122020 Rb\n0.643753 0.937392 0.308522 Sn\n0.356246 0.062609 0.691478 Sn\n0.268233 0.946672 0.475723 Se\n0.731766 0.053328 0.524278 Se\n0.374573 0.808818 0.932411 Se\n0.625427 0.191182 0.067589 Se\n0.149438 0.398130 0.717553 Se\n0.850562 0.601870 0.282448 Se\n","nsites":12,"nelements":3,"elements":["Rb","Sn","Se"],"chemical_system":"Rb-Se-Sn","density":4.039011789857415,"density_atomic":0.02771773779458387,"volume":432.9357644167063,"volume_molar":21.726667611296705,"formula_full":"Rb4 Sn2 Se6","formula_reduced":"Rb2SnSe3","formula_anonymous":"AB2C3","energy_above_hull":0.3450403,"spacegroup":2},{"id":"jvasp-50171","created_at":"2022-09-04T14:37:10.738875Z","updated_at":"2022-09-04T14:37:10.738901Z","structure_string":"Na8 Sn4 O12\n1.0\n2.785280 -4.824246 -0.000000\n2.785280 4.824246 0.000000\n-0.000000 0.000000 11.109730\nNa Sn O\n8 4 12\ndirect\n-0.000000 0.320083 0.750000 Na\n0.320083 0.320083 0.250000 Na\n-0.000000 0.679918 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.320083 -0.000000 0.750000 Na\n0.679917 0.679917 0.750000 Na\n0.679918 -0.000000 0.250000 Na\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n0.633032 -0.000000 0.894067 O\n-0.000000 0.366968 0.394067 O\n-0.000000 0.366968 0.105933 O\n-0.000000 0.633032 0.894067 O\n-0.000000 0.633032 0.605933 O\n0.366968 0.366968 0.894067 O\n0.366968 0.366968 0.605933 O\n0.633032 0.633032 0.394067 O\n0.633032 0.633032 0.105933 O\n0.366968 -0.000000 0.394067 O\n0.366968 -0.000000 0.105933 O\n0.633032 -0.000000 0.605933 O\n","nsites":24,"nelements":3,"elements":["Na","Sn","O"],"chemical_system":"Na-O-Sn","density":4.731727614599059,"density_atomic":0.08038581801433736,"volume":298.56012656012825,"volume_molar":7.4915462811187785,"formula_full":"Na8 Sn4 O12","formula_reduced":"Na2SnO3","formula_anonymous":"AB2C3","energy_above_hull":0.8383250333333334,"spacegroup":193},{"id":"jvasp-49871","created_at":"2022-09-04T14:37:10.763936Z","updated_at":"2022-09-04T14:37:10.763956Z","structure_string":"Na1 Cu2 O3\n1.0\n3.756928 0.000000 0.000000\n-1.878465 5.804219 0.000000\n0.000000 0.000000 3.307033\nNa Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Na\n0.341936 0.683871 0.000000 Cu\n0.658066 0.316130 0.000000 Cu\n0.179414 0.358828 0.000000 O\n0.500000 -0.000000 0.000000 O\n0.820587 0.641172 0.000000 O\n","nsites":6,"nelements":3,"elements":["Na","Cu","O"],"chemical_system":"Cu-Na-O","density":4.561151169430692,"density_atomic":0.08320243933584648,"volume":72.11327033070523,"volume_molar":7.237937743257311,"formula_full":"Na1 Cu2 O3","formula_reduced":"NaCu2O3","formula_anonymous":"AB2C3","energy_above_hull":0.8961445750000003,"spacegroup":65},{"id":"jvasp-13407","created_at":"2022-09-04T14:37:10.871190Z","updated_at":"2022-09-04T14:37:10.871209Z","structure_string":"Rb12 Cu4 O8\n1.0\n0.000000 6.727923 -0.010633\n9.711117 0.000000 0.000000\n0.000000 -3.524336 -8.717089\nRb Cu O\n12 4 8\ndirect\n0.238575 0.709622 0.312260 Rb\n0.245415 0.463997 0.005125 Rb\n0.245415 0.036004 0.505125 Rb\n0.754584 0.536004 0.994875 Rb\n0.734656 0.522363 0.375120 Rb\n0.265343 0.022363 0.124879 Rb\n0.754584 0.963997 0.494875 Rb\n0.734656 0.977637 0.875120 Rb\n0.238575 0.790378 0.812260 Rb\n0.761423 0.290378 0.687740 Rb\n0.761424 0.209622 0.187740 Rb\n0.265342 0.477637 0.624879 Rb\n0.292253 0.320420 0.327241 Cu\n0.707746 0.820420 0.172758 Cu\n0.707745 0.679580 0.672759 Cu\n0.292253 0.179580 0.827241 Cu\n0.512428 0.302015 0.879334 O\n0.067745 0.060550 0.777963 O\n0.932253 0.560551 0.722037 O\n0.932254 0.939450 0.222037 O\n0.067745 0.439450 0.277963 O\n0.487571 0.697985 0.120666 O\n0.512428 0.197985 0.379334 O\n0.487571 0.802016 0.620666 O\n","nsites":24,"nelements":3,"elements":["Rb","Cu","O"],"chemical_system":"Cu-O-Rb","density":4.101934729475781,"density_atomic":0.04211260919266922,"volume":569.900570401556,"volume_molar":14.300089392343585,"formula_full":"Rb12 Cu4 O8","formula_reduced":"Rb3CuO2","formula_anonymous":"AB2C3","energy_above_hull":0.1228072500000001,"spacegroup":14},{"id":"jvasp-11384","created_at":"2022-09-04T14:37:10.927615Z","updated_at":"2022-09-04T14:37:10.927641Z","structure_string":"Cu4 Ge2 S6\n1.0\n6.450616 0.031214 1.035940\n1.617584 5.406402 3.215061\n0.031559 0.009430 6.528385\nCu Ge S\n4 2 6\ndirect\n0.139781 0.030798 0.168022 Cu\n0.140139 0.373206 0.496592 Cu\n0.639782 0.198820 0.831978 Cu\n0.640139 0.869797 0.503409 Cu\n0.121313 0.723458 0.824367 Ge\n0.621314 0.547824 0.175635 Ge\n0.512021 0.248922 0.496767 S\n0.012020 0.745688 0.503234 S\n0.513716 0.917164 0.169647 S\n0.013716 0.086811 0.830353 S\n0.008031 0.411534 0.166440 S\n0.508032 0.577973 0.833561 S\n","nsites":12,"nelements":3,"elements":["Cu","Ge","S"],"chemical_system":"Cu-Ge-S","density":4.32965366073032,"density_atomic":0.05286530217785699,"volume":226.99198728927885,"volume_molar":11.391480823734735,"formula_full":"Cu4 Ge2 S6","formula_reduced":"Cu2GeS3","formula_anonymous":"AB2C3","energy_above_hull":0.979759475,"spacegroup":9},{"id":"jvasp-58925","created_at":"2022-09-04T14:37:10.936603Z","updated_at":"2022-09-04T14:37:10.936611Z","structure_string":"Hg8 P12 Br4\n1.0\n7.977397 -0.000000 0.000000\n-0.000000 8.123132 0.000000\n0.000000 0.000000 9.002573\nHg P Br\n8 12 4\ndirect\n0.898537 0.214023 0.672136 Hg\n0.601463 0.785977 0.672136 Hg\n0.101463 0.714022 0.827864 Hg\n0.398537 0.285977 0.827864 Hg\n0.898537 0.285977 0.172136 Hg\n0.398537 0.214023 0.327864 Hg\n0.101463 0.785977 0.327864 Hg\n0.601463 0.714022 0.172136 Hg\n0.578400 0.113491 0.988135 P\n0.750000 0.500000 0.321831 P\n0.750000 0.000000 0.821831 P\n0.250000 0.500000 0.678169 P\n0.250000 0.000000 0.178169 P\n0.078400 0.386509 0.511864 P\n0.421601 0.886509 0.011865 P\n0.921601 0.886509 0.988135 P\n0.921601 0.613491 0.488135 P\n0.578400 0.386509 0.488135 P\n0.078400 0.113491 0.011865 P\n0.421601 0.613491 0.511864 P\n0.750000 0.000000 0.387928 Br\n0.250000 0.500000 0.112071 Br\n0.750000 0.500000 0.887928 Br\n0.250000 0.000000 0.612071 Br\n","nsites":24,"nelements":3,"elements":["Hg","P","Br"],"chemical_system":"Br-Hg-P","density":6.535421656486734,"density_atomic":0.04113958193226446,"volume":583.3797737545204,"volume_molar":14.63831297536115,"formula_full":"Hg8 P12 Br4","formula_reduced":"Hg2P3Br","formula_anonymous":"AB2C3","energy_above_hull":1.0010649675,"spacegroup":60},{"id":"jvasp-10689","created_at":"2022-09-04T14:37:11.323545Z","updated_at":"2022-09-04T14:37:11.323567Z","structure_string":"Cu4 Sn2 S6\n1.0\n6.321495 -0.000000 2.248536\n3.160747 5.808882 1.124268\n0.015624 -0.000000 6.740684\nCu Sn S\n4 2 6\ndirect\n0.441360 0.162326 0.987744 Cu\n0.264073 0.494317 0.486787 Cu\n0.603686 0.837674 0.487745 Cu\n0.758390 0.505683 0.986787 Cu\n0.908662 0.185695 0.503856 Sn\n0.094358 0.814304 0.003856 Sn\n0.243402 0.816770 0.603006 S\n0.060171 0.183230 0.103006 S\n0.407854 0.476598 0.123550 S\n0.884452 0.523402 0.623550 S\n0.698757 0.830686 0.124056 S\n0.529444 0.169313 0.624055 S\n","nsites":12,"nelements":3,"elements":["Cu","Sn","S"],"chemical_system":"Cu-S-Sn","density":4.59243769840542,"density_atomic":0.048520261161738784,"volume":247.3193612870068,"volume_molar":12.411600052863749,"formula_full":"Cu4 Sn2 S6","formula_reduced":"Cu2SnS3","formula_anonymous":"AB2C3","energy_above_hull":0.9071587666666664,"spacegroup":9},{"id":"jvasp-42367","created_at":"2022-09-04T14:37:11.523956Z","updated_at":"2022-09-04T14:37:11.523981Z","structure_string":"Mn8 O4 F12\n1.0\n0.000000 -0.000000 -6.301990\n4.946084 4.946084 -0.000000\n4.626622 -4.626622 3.150996\nMn O F\n8 4 12\ndirect\n-0.000278 -0.000000 -0.000514 Mn\n0.499766 0.000000 -0.000514 Mn\n0.500630 0.000000 0.501262 Mn\n0.751650 0.500000 0.003301 Mn\n0.998349 0.000000 0.496699 Mn\n0.249368 0.500000 0.998737 Mn\n0.750278 0.500000 0.500514 Mn\n0.250234 0.500000 0.500514 Mn\n0.906275 0.500000 0.312550 O\n0.594905 0.500000 0.689810 O\n0.843724 0.000000 0.187450 O\n0.155094 -0.000000 0.810189 O\n0.249702 0.800836 0.499019 F\n0.350332 0.000000 0.200662 F\n0.000684 0.300836 0.000981 F\n0.500297 0.300836 0.000981 F\n0.249702 0.199163 0.499019 F\n0.000684 0.699163 0.000981 F\n0.500297 0.699163 0.000981 F\n0.749315 0.199163 0.499019 F\n0.399668 0.500000 0.299337 F\n0.650031 0.000000 0.800065 F\n0.099967 0.500000 0.699934 F\n0.749315 0.800836 0.499019 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.211337072030026,"density_atomic":0.08321048051921615,"volume":288.4252061788969,"volume_molar":7.237238293088912,"formula_full":"Mn8 O4 F12","formula_reduced":"Mn2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.5618614717097703,"spacegroup":63}]}