{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=88","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=86","results":[{"id":"jvasp-55611","created_at":"2022-09-04T14:36:43.704761Z","updated_at":"2022-09-04T14:36:43.704781Z","structure_string":"Ba8 Cl12 O2\n1.0\n5.028559 -8.709721 0.000000\n5.028559 8.709721 -0.000000\n0.000000 -0.000000 7.532997\nBa Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.068169 Ba\n0.333333 0.666667 0.568169 Ba\n0.389824 0.194911 0.506714 Ba\n0.194911 0.805089 0.006713 Ba\n0.194911 0.389824 0.006713 Ba\n0.805089 0.610177 0.506714 Ba\n0.805089 0.194911 0.506714 Ba\n0.610177 0.805089 0.006713 Ba\n0.289603 0.144802 0.103909 Cl\n0.144802 0.855198 0.603909 Cl\n0.144802 0.289603 0.603909 Cl\n0.855198 0.710397 0.103909 Cl\n0.855198 0.144802 0.103909 Cl\n0.710397 0.855198 0.603909 Cl\n0.057187 0.528593 0.290426 Cl\n0.528593 0.057187 0.790426 Cl\n0.942813 0.471407 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0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n","nsites":28,"nelements":4,"elements":["Pr","Si","S","Cl"],"chemical_system":"Cl-Pr-S-Si","density":3.8799449554133387,"density_atomic":0.042435084989538054,"volume":659.831363761923,"volume_molar":14.191419108703796,"formula_full":"Pr6 Si4 S16 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-1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 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0.649780 Pr\n0.250000 0.537925 0.350220 Pr\n0.750001 0.273035 0.368189 Pr\n0.250000 0.766875 0.299569 S\n0.250000 0.577807 0.107271 S\n0.250000 0.077806 0.392729 S\n0.250000 0.266875 0.200431 S\n0.750001 0.733126 0.799569 S\n0.750001 0.422194 0.892729 S\n0.750001 0.142923 0.999311 S\n0.750001 0.922194 0.607271 S\n0.750001 0.233125 0.700431 S\n0.250000 0.857078 0.000689 S\n0.250000 0.357078 0.499311 S\n0.750001 0.642923 0.500689 S\n0.750001 0.450336 0.298026 N\n0.250000 0.549664 0.701974 N\n0.250000 0.049664 0.798026 N\n0.750001 0.950336 0.201974 N\n","nsites":28,"nelements":3,"elements":["Pr","S","N"],"chemical_system":"N-Pr-S","density":5.380075518705334,"density_atomic":0.04255704902933106,"volume":657.9403562662889,"volume_molar":14.150747989714782,"formula_full":"Pr12 S12 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Br\n","nsites":20,"nelements":2,"elements":["Si","Br"],"chemical_system":"Br-Si","density":3.5102198223408596,"density_atomic":0.030398255221769317,"volume":657.9324982335585,"volume_molar":19.810810574704707,"formula_full":"Si4 Br16","formula_reduced":"SiBr4","formula_anonymous":"AB4","energy_above_hull":0.441893004,"spacegroup":14},{"id":"jvasp-4219","created_at":"2022-09-04T14:37:42.398033Z","updated_at":"2022-09-04T14:37:42.398050Z","structure_string":"Al4 I12\n1.0\n0.000000 9.610161 -0.083708\n6.036528 0.000000 0.000000\n0.000000 -3.759411 -11.304149\nAl I\n4 12\ndirect\n0.196664 0.001485 0.048784 Al\n0.803336 0.501485 0.451216 Al\n0.803336 0.998515 0.951216 Al\n0.196664 0.498515 0.548784 Al\n0.331992 0.748953 0.211820 I\n0.668008 0.248952 0.288180 I\n0.668008 0.251048 0.788180 I\n0.331992 0.751048 0.711820 I\n0.330212 0.255362 0.951962 I\n0.669788 0.755362 0.548038 I\n0.669788 0.744638 0.048038 I\n0.330212 0.244638 0.451962 I\n0.000689 0.768649 0.881097 I\n0.999311 0.268648 0.618903 I\n0.999311 0.231352 0.118903 I\n0.000689 0.731352 0.381097 I\n","nsites":16,"nelements":2,"elements":["Al","I"],"chemical_system":"Al-I","density":4.11748872185753,"density_atomic":0.02432808819874354,"volume":657.676010925772,"volume_molar":24.75385945168935,"formula_full":"Al4 I12","formula_reduced":"AlI3","formula_anonymous":"AB3","energy_above_hull":0.01174290625,"spacegroup":14},{"id":"jvasp-115539","created_at":"2022-09-04T14:38:44.828113Z","updated_at":"2022-09-04T14:38:44.828132Z","structure_string":"Ba1 H1 Br1\n1.0\n7.831452 -0.000000 -0.000000\n-0.000000 7.831452 -0.000000\n0.000000 -0.000000 10.718069\nBa H Br\n1 1 1\ndirect\n0.000000 0.000000 0.369793 Ba\n0.000000 0.000000 0.149083 H\n0.000000 0.000000 0.646815 Br\n","nsites":3,"nelements":3,"elements":["Ba","H","Br"],"chemical_system":"Ba-Br-H","density":0.5512901229380508,"density_atomic":0.004563731918434835,"volume":657.3567539937517,"volume_molar":131.9564967362355,"formula_full":"Ba1 H1 Br1","formula_reduced":"BaHBr","formula_anonymous":"ABC","energy_above_hull":0.6356900249999999,"spacegroup":99},{"id":"jvasp-29639","created_at":"2022-09-04T14:37:12.690334Z","updated_at":"2022-09-04T14:37:12.690348Z","structure_string":"Cd6 I12\n1.0\n4.285527 0.000000 -0.000000\n-2.142764 3.711377 0.000000\n-0.000000 0.000000 41.289410\nCd I\n6 12\ndirect\n0.000000 0.000000 0.541628 Cd\n0.333334 0.666668 0.708323 Cd\n0.000000 0.000000 0.874996 Cd\n0.666668 0.333333 0.041677 Cd\n0.666668 0.333333 0.374988 Cd\n0.000000 0.000000 0.208352 Cd\n0.333334 0.666668 0.250379 I\n0.333334 0.666668 0.417013 I\n0.666668 0.333333 0.499629 I\n0.666668 0.333333 0.666302 I\n0.000000 0.000000 -0.000314 I\n0.000000 0.000000 0.333001 I\n0.333334 0.666668 0.917012 I\n0.000000 0.000000 0.750322 I\n0.666668 0.333333 0.832987 I\n0.333334 0.666668 0.083706 I\n0.333334 0.666668 0.583636 I\n0.666668 0.333333 0.166364 I\n","nsites":18,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.556027034012476,"density_atomic":0.02740908390467587,"volume":656.7165857348949,"volume_molar":21.97133177067859,"formula_full":"Cd6 I12","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.0001066666666666,"spacegroup":156}]}