{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=596","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=594","results":[{"id":"jvasp-101982","created_at":"2022-09-04T14:37:05.482751Z","updated_at":"2022-09-04T14:37:05.482772Z","structure_string":"H40 C20\n1.0\n8.553841 0.000000 -3.731294\n0.000000 5.200534 0.000000\n-0.028544 0.000000 9.817612\nH C\n40 20\ndirect\n0.480242 0.120644 0.176019 H\n0.919910 0.698751 0.308897 H\n0.080090 0.301249 0.691104 H\n0.031357 0.774126 0.067384 H\n0.968643 0.225874 0.932616 H\n0.968643 0.274126 0.432616 H\n0.031358 0.725873 0.567384 H\n0.199850 0.644290 0.210828 H\n0.800150 0.144290 0.289172 H\n0.199850 0.855709 0.710828 H\n0.185930 0.965683 0.949509 H\n0.814071 0.034317 0.050492 H\n0.814071 0.465683 0.550492 H\n0.185929 0.534316 0.449509 H\n0.332491 0.747971 0.058226 H\n0.667510 0.252029 0.941774 H\n0.667509 0.247971 0.441774 H\n0.332491 0.752028 0.558226 H\n0.919911 0.801248 0.808897 H\n0.080090 0.198751 0.191104 H\n0.800151 0.355709 0.789172 H\n0.870756 0.484077 0.155865 H\n0.129244 0.515922 0.844135 H\n0.519758 0.879355 0.823981 H\n0.519758 0.620644 0.323981 H\n0.480243 0.379355 0.676019 H\n0.311899 0.317293 0.097457 H\n0.688102 0.682707 0.902543 H\n0.311899 0.182707 0.597457 H\n0.353272 0.321957 0.358797 H\n0.646728 0.678042 0.641203 H\n0.688102 0.817292 0.402543 H\n0.870757 0.015922 0.655865 H\n0.353272 0.178043 0.858797 H\n0.409234 0.992998 0.381332 H\n0.590766 0.007001 0.618668 H\n0.590766 0.492999 0.118668 H\n0.409235 0.507001 0.881332 H\n0.129244 0.984077 0.344135 H\n0.646728 0.821956 0.141203 H\n0.160618 0.457743 0.751826 C\n0.151844 0.819921 0.145179 C\n0.848156 0.180078 0.854822 C\n0.742867 0.093742 0.935193 C\n0.151844 0.680077 0.645178 C\n0.257133 0.906257 0.064808 C\n0.839382 0.542257 0.248175 C\n0.848156 0.319922 0.354822 C\n0.839382 0.957742 0.748175 C\n0.355961 0.134965 0.157119 C\n0.330456 0.366007 0.802416 C\n0.669544 0.633993 0.197584 C\n0.669544 0.866006 0.697584 C\n0.330456 0.133993 0.302416 C\n0.355961 0.365035 0.657119 C\n0.644039 0.634964 0.342882 C\n0.644039 0.865035 0.842882 C\n0.742867 0.406258 0.435193 C\n0.160618 0.042257 0.251826 C\n0.257133 0.593742 0.564807 C\n","nsites":60,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.067989677257328,"density_atomic":0.13755849613148502,"volume":436.1780746908509,"volume_molar":4.377876270356829,"formula_full":"H40 C20","formula_reduced":"H2C","formula_anonymous":"AB2","energy_above_hull":3.26792,"spacegroup":14},{"id":"jvasp-50848","created_at":"2022-09-04T14:37:05.771411Z","updated_at":"2022-09-04T14:37:05.771430Z","structure_string":"Pr8 S8 O4\n1.0\n0.000000 7.143038 0.002706\n7.254654 0.000000 0.000000\n0.000000 -1.291975 -8.522252\nPr S O\n8 8 4\ndirect\n0.750876 0.443357 0.136757 Pr\n0.250876 0.056642 0.136757 Pr\n0.687689 0.866401 0.417572 Pr\n0.187689 0.633598 0.417572 Pr\n0.812310 0.366401 0.582427 Pr\n0.312310 0.133599 0.582427 Pr\n0.749124 0.943357 0.863242 Pr\n0.249124 0.556642 0.863243 Pr\n0.472120 0.224497 0.921128 S\n0.972121 0.275502 0.921128 S\n0.061301 0.854181 0.675988 S\n0.561301 0.645818 0.675988 S\n0.027879 0.724497 0.078871 S\n0.938698 0.145819 0.324011 S\n0.527879 0.775502 0.078871 S\n0.438698 0.354181 0.324011 S\n0.649311 0.088309 0.617492 O\n0.850688 0.588309 0.382507 O\n0.350688 0.911690 0.382507 O\n0.149311 0.411691 0.617493 O\n","nsites":20,"nelements":3,"elements":["Pr","S","O"],"chemical_system":"O-Pr-S","density":5.444051390875205,"density_atomic":0.04528985200205171,"volume":441.6000299381408,"volume_molar":13.296887699538487,"formula_full":"Pr8 S8 O4","formula_reduced":"Pr2S2O","formula_anonymous":"AB2C2","energy_above_hull":1.4928406399999998,"spacegroup":14},{"id":"jvasp-55527","created_at":"2022-09-04T14:37:06.262755Z","updated_at":"2022-09-04T14:37:06.262783Z","structure_string":"P4 Pb4 Se12\n1.0\n0.000000 7.046857 -0.001882\n7.700721 0.000000 0.000000\n0.000000 -6.723276 -9.809311\nP Pb Se\n4 4 12\ndirect\n0.879020 0.141133 0.715401 P\n0.879020 0.858867 0.215401 P\n0.126641 0.358849 0.842798 P\n0.126641 0.641151 0.342798 P\n0.785715 0.639957 0.526198 Pb\n0.219946 0.139972 0.532016 Pb\n0.219946 0.860028 0.032016 Pb\n0.785715 0.360043 0.026198 Pb\n0.112478 0.059392 0.223432 Se\n0.380192 0.247866 0.046810 Se\n0.726449 0.956052 0.324392 Se\n0.112478 0.940608 0.723432 Se\n0.625470 0.747884 0.011388 Se\n0.893178 0.559377 0.834757 Se\n0.726449 0.043948 0.824392 Se\n0.893178 0.440623 0.334757 Se\n0.380191 0.752134 0.546810 Se\n0.279211 0.543961 0.233807 Se\n0.625469 0.252116 0.511388 Se\n0.279211 0.456039 0.733807 Se\n","nsites":20,"nelements":3,"elements":["P","Pb","Se"],"chemical_system":"P-Pb-Se","density":5.926619003535259,"density_atomic":0.037565152344288026,"volume":532.4083293127148,"volume_molar":16.031189504588014,"formula_full":"P4 Pb4 Se12","formula_reduced":"PPbSe3","formula_anonymous":"ABC3","energy_above_hull":1.5112732839999998,"spacegroup":14},{"id":"jvasp-32777","created_at":"2022-09-04T14:37:05.861756Z","updated_at":"2022-09-04T14:37:05.861776Z","structure_string":"Tl4 Ni2 C8 N8\n1.0\n5.994717 0.000000 -1.551287\n0.000000 7.134878 0.000000\n-0.059295 0.000000 9.364075\nTl Ni C N\n4 2 8 8\ndirect\n0.728615 0.342133 0.418475 Tl\n0.228615 0.157867 0.918475 Tl\n0.771387 0.842133 0.081525 Tl\n0.271387 0.657867 0.581526 Tl\n0.000000 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.804213 0.342295 0.061062 C\n0.685721 0.999749 0.689988 C\n0.195789 0.657705 0.938939 C\n0.314280 0.000251 0.310012 C\n0.814281 0.499749 0.810013 C\n0.185720 0.500251 0.189988 C\n0.304213 0.157705 0.561062 C\n0.695789 0.842295 0.438938 C\n0.683476 0.240175 0.101617 N\n0.697772 0.499072 0.689652 N\n0.816525 0.740176 0.398383 N\n0.302230 0.500929 0.310348 N\n0.802231 0.999072 0.810348 N\n0.316526 0.759825 0.898384 N\n0.197771 0.000929 0.189652 N\n0.183476 0.259825 0.601617 N\n","nsites":22,"nelements":4,"elements":["Tl","Ni","C","N"],"chemical_system":"C-N-Ni-Tl","density":4.746898275879738,"density_atomic":0.05501926507514356,"volume":399.8599394221842,"volume_molar":10.945512906752121,"formula_full":"Tl4 Ni2 C8 N8","formula_reduced":"Tl2Ni(CN)4","formula_anonymous":"AB2C4D4","energy_above_hull":4.9127846,"spacegroup":14},{"id":"jvasp-45400","created_at":"2022-09-04T14:37:05.940805Z","updated_at":"2022-09-04T14:37:05.940823Z","structure_string":"Ca4 P4 S12\n1.0\n0.000000 6.548404 0.002718\n7.283498 0.000000 0.000000\n0.000000 -6.192883 -9.184805\nCa P S\n4 4 12\ndirect\n0.712639 0.618612 0.752767 Ca\n0.287362 0.118611 0.747234 Ca\n0.287361 0.381389 0.247234 Ca\n0.712639 0.881389 0.252766 Ca\n0.363467 0.609857 0.933312 P\n0.636533 0.109857 0.566689 P\n0.636533 0.390144 0.066689 P\n0.363467 0.890144 0.433311 P\n0.778282 0.304504 0.952618 S\n0.221719 0.804504 0.547383 S\n0.113913 0.493018 0.737748 S\n0.886088 0.993018 0.762252 S\n0.886087 0.506983 0.262252 S\n0.416640 0.190965 0.066347 S\n0.583361 0.809035 0.933653 S\n0.416640 0.309035 0.566348 S\n0.778281 0.195496 0.452618 S\n0.583360 0.690965 0.433653 S\n0.113913 0.006982 0.237748 S\n0.221718 0.695496 0.047382 S\n","nsites":20,"nelements":3,"elements":["Ca","P","S"],"chemical_system":"Ca-P-S","density":2.5365472340558917,"density_atomic":0.04566738485840496,"volume":437.94931682669045,"volume_molar":13.186962158380833,"formula_full":"Ca4 P4 S12","formula_reduced":"CaPS3","formula_anonymous":"ABC3","energy_above_hull":1.5170511840000005,"spacegroup":14},{"id":"jvasp-9548","created_at":"2022-09-04T14:37:05.941164Z","updated_at":"2022-09-04T14:37:05.941192Z","structure_string":"Mg4 Bi4 O10\n1.0\n0.000000 4.636214 1.645601\n5.329490 0.000000 0.000000\n0.000000 -3.159598 -12.439288\nMg Bi O\n4 4 10\ndirect\n0.641133 0.771561 -0.003359 Mg\n0.358866 0.228439 0.003359 Mg\n0.358866 0.271561 0.503359 Mg\n0.641133 0.728439 0.496641 Mg\n-0.152092 0.675128 0.296335 Bi\n0.152091 0.324872 0.703665 Bi\n-0.152092 0.824872 0.796335 Bi\n0.152091 0.175128 0.203665 Bi\n0.298847 0.480834 0.360784 O\n0.222989 -0.032333 0.386835 O\n0.701152 -0.019166 0.139216 O\n0.298847 0.019166 0.860784 O\n-0.000000 0.500000 0.500000 O\n0.222989 0.532333 0.886835 O\n-0.222989 0.032333 0.613165 O\n0.000000 0.000000 0.000000 O\n-0.222989 0.467667 0.113165 O\n0.701152 0.519166 0.639217 O\n","nsites":18,"nelements":3,"elements":["Mg","Bi","O"],"chemical_system":"Bi-Mg-O","density":6.491003198114303,"density_atomic":0.06436669238756247,"volume":279.6477391073481,"volume_molar":9.355989156223373,"formula_full":"Mg4 Bi4 O10","formula_reduced":"Mg2Bi2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.3897793555555558,"spacegroup":14},{"id":"jvasp-50507","created_at":"2022-09-04T14:37:06.042297Z","updated_at":"2022-09-04T14:37:06.042315Z","structure_string":"Tm4 As4 O16\n1.0\n0.000000 6.651686 0.035777\n6.917724 0.000000 0.000000\n0.000000 -4.849616 -6.397135\nTm As O\n4 4 16\ndirect\n0.805566 0.858510 0.224501 Tm\n0.194434 0.358511 0.275498 Tm\n0.805565 0.641489 0.724500 Tm\n0.194434 0.141489 0.775498 Tm\n0.313311 0.841744 0.201576 As\n0.686689 0.341744 0.298424 As\n0.313310 0.658255 0.701575 As\n0.686688 0.158255 0.798423 As\n0.883221 0.354895 0.901906 O\n0.153741 0.491279 0.740047 O\n0.374697 0.212550 0.601644 O\n0.846258 0.991279 0.759951 O\n0.116777 0.854895 0.598092 O\n0.361931 0.601934 0.519524 O\n0.638068 0.398066 0.480475 O\n0.846258 0.508721 0.259952 O\n0.153741 0.008721 0.240048 O\n0.625302 0.787450 0.398354 O\n0.625301 0.712550 0.898354 O\n0.116778 0.645104 0.098092 O\n0.374698 0.287450 0.101645 O\n0.361932 0.898066 0.019524 O\n0.883222 0.145104 0.401907 O\n0.638068 0.101934 0.980475 O\n","nsites":24,"nelements":3,"elements":["Tm","As","O"],"chemical_system":"As-O-Tm","density":6.9750452132610485,"density_atomic":0.08186630922062195,"volume":293.16088911889597,"volume_molar":7.356067248336433,"formula_full":"Tm4 As4 O16","formula_reduced":"TmAsO4","formula_anonymous":"ABC4","energy_above_hull":2.046651666666667,"spacegroup":14},{"id":"jvasp-21588","created_at":"2022-09-04T14:37:06.064445Z","updated_at":"2022-09-04T14:37:06.064463Z","structure_string":"Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n","nsites":20,"nelements":4,"elements":["Sr","Sc","Ir","O"],"chemical_system":"Ir-O-Sc-Sr","density":6.513507185700465,"density_atomic":0.07715290849573397,"volume":259.22548339322634,"volume_molar":7.805461747865257,"formula_full":"Sr4 Sc2 Ir2 O12","formula_reduced":"Sr2ScIrO6","formula_anonymous":"ABC2D6","energy_above_hull":2.199465997,"spacegroup":14},{"id":"jvasp-52308","created_at":"2022-09-04T14:37:06.134410Z","updated_at":"2022-09-04T14:37:06.134436Z","structure_string":"Li4 Cu4 F12\n1.0\n0.000000 3.256619 -0.021623\n9.699901 0.000000 0.000000\n0.000000 -2.109764 -7.303570\nLi Cu F\n4 4 12\ndirect\n-0.008614 0.309274 0.016898 Li\n0.008614 0.809274 0.483102 Li\n-0.008613 0.190726 0.516897 Li\n0.008615 0.690725 0.983102 Li\n0.317454 0.997348 0.188657 Cu\n0.682546 0.497348 0.311343 Cu\n0.317455 0.502652 0.688657 Cu\n0.682547 0.002652 0.811343 Cu\n0.146421 0.381266 0.470618 F\n0.853580 0.881266 0.029381 F\n0.173220 0.902208 0.705986 F\n0.442782 0.638804 0.873880 F\n0.557219 0.361196 0.126119 F\n0.557220 0.138804 0.626119 F\n0.146421 0.118734 0.970618 F\n0.853580 0.618734 0.529381 F\n0.442781 0.861196 0.373880 F\n0.173219 0.597792 0.205986 F\n0.826781 0.097792 0.294014 F\n0.826782 0.402208 0.794014 F\n","nsites":20,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.663169746183362,"density_atomic":0.08652236228149433,"volume":231.15411406511797,"volume_molar":6.960213060766182,"formula_full":"Li4 Cu4 F12","formula_reduced":"LiCuF3","formula_anonymous":"ABC3","energy_above_hull":0.0053279999999999,"spacegroup":14},{"id":"jvasp-29748","created_at":"2022-09-04T14:37:06.445103Z","updated_at":"2022-09-04T14:37:06.445128Z","structure_string":"Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n","nsites":16,"nelements":2,"elements":["Bi","Br"],"chemical_system":"Bi-Br","density":5.888260182158157,"density_atomic":0.031611796108615926,"volume":506.1401745419689,"volume_molar":19.05029609614191,"formula_full":"Bi4 Br12","formula_reduced":"BiBr3","formula_anonymous":"AB3","energy_above_hull":0.0052774999999999,"spacegroup":14},{"id":"jvasp-32456","created_at":"2022-09-04T14:37:06.573576Z","updated_at":"2022-09-04T14:37:06.573592Z","structure_string":"P8 N8 F16\n1.0\n4.762138 0.003412 0.000000\n-2.279769 6.831396 0.000000\n0.000000 0.000000 13.588423\nP N F\n8 8 16\ndirect\n0.073452 0.691762 0.620063 P\n0.651588 0.795311 0.926297 P\n0.926548 0.308238 0.379936 P\n0.073452 0.191762 0.879936 P\n0.348412 0.704689 0.426297 P\n0.348412 0.204689 0.073703 P\n0.651588 0.295311 0.573703 P\n0.926548 0.808238 0.120063 P\n0.282069 0.769203 0.530609 N\n0.717932 0.730798 0.030609 N\n0.802945 0.502722 0.616031 N\n0.717932 0.230798 0.469391 N\n0.282069 0.269202 0.969391 N\n0.802945 0.002722 0.883968 N\n0.197055 0.497278 0.383968 N\n0.197055 0.997278 0.116031 N\n0.324254 0.860788 0.350388 F\n0.041690 0.639915 0.155178 F\n0.958310 0.360085 0.844821 F\n0.270255 0.681420 0.710396 F\n0.675746 0.139212 0.649612 F\n0.041690 0.139915 0.344822 F\n0.958310 0.860086 0.655178 F\n0.729746 0.818580 0.210397 F\n0.324254 0.360788 0.149612 F\n0.270255 0.181420 0.789603 F\n0.729746 0.318580 0.289603 F\n0.690393 0.240690 0.079379 F\n0.690393 0.740690 0.420620 F\n0.675747 0.639213 0.850388 F\n0.309607 0.259310 0.579379 F\n0.309607 0.759310 0.920620 F\n","nsites":32,"nelements":3,"elements":["P","N","F"],"chemical_system":"F-N-P","density":2.4929518671876605,"density_atomic":0.07237117994738451,"volume":442.16496156708683,"volume_molar":8.321186367803085,"formula_full":"P8 N8 F16","formula_reduced":"PNF2","formula_anonymous":"ABC2","energy_above_hull":1.5185748287500005,"spacegroup":14},{"id":"jvasp-12977","created_at":"2022-09-04T14:37:06.693854Z","updated_at":"2022-09-04T14:37:06.693884Z","structure_string":"Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n","nsites":18,"nelements":3,"elements":["Pd","Pb","Br"],"chemical_system":"Br-Pb-Pd","density":6.201778826853014,"density_atomic":0.033604986946727866,"volume":535.6347862456964,"volume_molar":17.920378215133866,"formula_full":"Pd2 Pb4 Br12","formula_reduced":"Pd(PbBr3)2","formula_anonymous":"AB2C6","energy_above_hull":0.1347568855555556,"spacegroup":14}]}