{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=29","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=27","results":[{"id":"oqmd-688732","created_at":"2022-09-04T15:52:20.267226Z","updated_at":"2022-09-04T15:52:20.267255Z","structure_string":"K4 Ga4 Te24 O56\n1.0\n10.804622 0.000000 0.000000\n0.000000 10.804622 0.000000\n0.000000 0.000000 10.804622\nGa K O Te\n4 4 56 24\ndirect\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.386966 0.128655 0.068764 O\n0.113034 0.628655 0.068764 O\n0.687994 0.373350 0.112395 O\n0.812006 0.873350 0.112395 O\n0.628655 0.068764 0.113034 O\n0.871345 0.568764 0.113034 O\n0.887605 0.187994 0.126650 O\n0.612395 0.687994 0.126650 O\n0.068764 0.386966 0.128655 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0.762042 Te\n0.263833 0.990946 0.762042 Te\n0.509054 0.237958 0.763833 Te\n0.990946 0.737958 0.763833 Te\n0.762042 0.263833 0.990946 Te\n0.737958 0.763833 0.990946 Te\n","nsites":88,"nelements":4,"elements":["Ga","K","O","Te"],"chemical_system":"Ga-K-O-Te","density":5.784235685115222,"density_atomic":0.0697676249914732,"volume":1261.3300224961808,"volume_molar":8.631712432143146,"formula_full":"K4 Ga4 Te24 O56","formula_reduced":"KGa(Te3O7)2","formula_anonymous":"ABC6D14","formation_energy":-1.46253140703648,"spacegroup":205},{"id":"oqmd-687380","created_at":"2022-09-04T15:52:20.396464Z","updated_at":"2022-09-04T15:52:20.396492Z","structure_string":"In4 H48 C16 Se8 I12\n1.0\n7.941784 0.000000 0.000000\n0.000000 8.217700 0.000000\n-0.491985 0.000000 24.501795\nC H I In Se\n16 48 12 4 8\ndirect\n0.729384 0.829329 0.016976 C\n0.603377 0.735966 0.125283 C\n0.219063 0.412348 0.125856 C\n0.121862 0.280844 0.232494 C\n0.878138 0.780844 0.267506 C\n0.780937 0.912348 0.374144 C\n0.396623 0.235966 0.374717 C\n0.270616 0.329329 0.483024 C\n0.729384 0.670671 0.516976 C\n0.603377 0.764034 0.625283 C\n0.219063 0.087652 0.625856 C\n0.121862 0.219156 0.732494 C\n0.878138 0.719156 0.767506 C\n0.780937 0.587652 0.874144 C\n0.396623 0.264034 0.874717 C\n0.270616 0.170671 0.983024 C\n0.345313 0.266920 0.002838 H\n0.246692 0.071061 0.011649 H\n0.847736 0.782045 0.034418 H\n0.177272 0.460281 0.086103 H\n0.570122 0.626242 0.101976 H\n0.272914 0.290125 0.122001 H\n0.731013 0.725297 0.142748 H\n0.308999 0.495315 0.145847 H\n0.511639 0.760351 0.157106 H\n0.162884 0.161086 0.218091 H\n0.975074 0.770062 0.236520 H\n0.228400 0.353380 0.248028 H\n0.771600 0.853380 0.251972 H\n0.024926 0.270062 0.263480 H\n0.837116 0.661086 0.281909 H\n0.488361 0.260351 0.342894 H\n0.691001 0.995315 0.354153 H\n0.268987 0.225297 0.357252 H\n0.727086 0.790125 0.377999 H\n0.429878 0.126242 0.398024 H\n0.822728 0.960281 0.413897 H\n0.152264 0.282045 0.465582 H\n0.753308 0.571061 0.488351 H\n0.654687 0.766920 0.497162 H\n0.345313 0.233080 0.502838 H\n0.246692 0.428939 0.511649 H\n0.847736 0.717955 0.534418 H\n0.177272 0.039719 0.586103 H\n0.570122 0.873758 0.601976 H\n0.272914 0.209875 0.622001 H\n0.731013 0.774703 0.642748 H\n0.308999 0.004685 0.645847 H\n0.511639 0.739649 0.657106 H\n0.162884 0.338914 0.718091 H\n0.975074 0.729938 0.736520 H\n0.228400 0.146620 0.748028 H\n0.771600 0.646620 0.751972 H\n0.024926 0.229938 0.763480 H\n0.837116 0.838914 0.781909 H\n0.488361 0.239649 0.842894 H\n0.691001 0.504685 0.854153 H\n0.268987 0.274703 0.857252 H\n0.727086 0.709875 0.877999 H\n0.429878 0.373758 0.898024 H\n0.822728 0.539719 0.913897 H\n0.152264 0.217955 0.965582 H\n0.753308 0.928939 0.988351 H\n0.654687 0.733080 0.997162 H\n0.767909 0.338583 0.030096 I\n0.090625 0.924189 0.124060 I\n0.614248 0.177508 0.211754 I\n0.385752 0.677508 0.288246 I\n0.909375 0.424189 0.375940 I\n0.232091 0.838583 0.469904 I\n0.767909 0.161417 0.530096 I\n0.090625 0.575811 0.624060 I\n0.614248 0.322492 0.711754 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Cl4\n1.0\n9.195195 0.000000 0.000000\n0.380884 9.641185 0.000000\n4.331141 3.604706 10.640459\nBi C Cl Ga H N Si\n1 18 4 1 54 4 6\ndirect\n0.355395 0.367161 0.123928 Bi\n0.650446 0.633663 0.004816 C\n0.738083 0.205155 0.153104 C\n0.537056 0.915357 0.231705 C\n0.083731 0.072507 0.262060 C\n0.469867 0.411157 0.391555 C\n0.570475 0.024395 0.431581 C\n0.132186 0.879160 0.501375 C\n0.116894 0.416989 0.504635 C\n0.922365 0.131843 0.510310 C\n0.414821 0.624954 0.633791 C\n0.260910 0.163257 0.635378 C\n0.593173 0.294151 0.697115 C\n0.659248 0.807208 0.740851 C\n0.849954 0.544179 0.777923 C\n0.254595 0.723543 0.860594 C\n0.748995 0.139910 0.878515 C\n0.192832 0.406685 0.879778 C\n0.404057 0.061692 0.948926 C\n0.952046 0.868791 0.069137 Cl\n0.953784 0.475578 0.200230 Cl\n0.238103 0.708786 0.200386 Cl\n0.834015 0.694391 0.403862 Cl\n0.991392 0.691329 0.217930 Ga\n0.381261 0.015414 0.049885 H\n0.542557 0.679902 0.050628 H\n0.721946 0.264978 0.064812 H\n0.660756 0.528464 0.071201 H\n0.839245 0.140366 0.130212 H\n0.538790 0.939556 0.135929 H\n0.766553 0.286502 0.190394 H\n0.182672 0.030800 0.201220 H\n0.064191 0.182583 0.207917 H\n0.635330 0.848815 0.238434 H\n0.979176 0.001271 0.285545 H\n0.428153 0.847723 0.295971 H\n0.465454 0.499259 0.308782 H\n0.573117 0.352304 0.360014 H\n0.088883 0.468440 0.420505 H\n0.665534 0.950897 0.429291 H\n0.241999 0.840134 0.450677 H\n0.489245 0.465655 0.453284 H\n0.595888 0.115305 0.460083 H\n0.900970 0.243074 0.461630 H\n0.461903 0.961774 0.502976 H\n0.036394 0.802449 0.516097 H\n0.823230 0.056982 0.528537 H\n0.153434 0.506011 0.530450 H\n0.009200 0.359646 0.581282 H\n0.491435 0.726791 0.590904 H\n0.479792 0.544070 0.593214 H\n0.133288 0.874142 0.593641 H\n0.923937 0.128873 0.601842 H\n0.313050 0.646953 0.604961 H\n0.359320 0.095043 0.634116 H\n0.669422 0.804463 0.647831 H\n0.676963 0.391546 0.648059 H\n0.641670 0.209762 0.653323 H\n0.153022 0.090041 0.676096 H\n0.484285 0.322045 0.680879 H\n0.862667 0.533761 0.686602 H\n0.250794 0.225133 0.700257 H\n0.762065 0.874161 0.727446 H\n0.948175 0.618911 0.762116 H\n0.555135 0.862978 0.777154 H\n0.307812 0.830203 0.790661 H\n0.850149 0.221647 0.827427 H\n0.107851 0.435200 0.832815 H\n0.770860 0.053349 0.833999 H\n0.860707 0.436740 0.840208 H\n0.239416 0.304080 0.867161 H\n0.129534 0.718916 0.874861 H\n0.440845 0.971539 0.909954 H\n0.291808 0.091834 0.939109 H\n0.261513 0.722371 0.950097 H\n0.745905 0.088928 0.974502 H\n0.126181 0.385964 0.980628 H\n0.749118 0.706946 0.990658 H\n0.401213 0.196707 0.267878 N\n0.264458 0.194987 0.376498 N\n0.499597 0.508449 0.868606 N\n0.498879 0.355415 0.941112 N\n0.559765 0.084350 0.271162 Si\n0.104273 0.069708 0.411979 Si\n0.280106 0.293944 0.476306 Si\n0.345425 0.565043 0.809604 Si\n0.661739 0.620185 0.849489 Si\n0.561090 0.216654 0.868091 Si\n","nsites":88,"nelements":7,"elements":["Bi","C","Cl","Ga","H","N","Si"],"chemical_system":"Bi-C-Cl-Ga-H-N-Si","density":1.6119051090233747,"density_atomic":0.09328910992608246,"volume":943.3041013010707,"volume_molar":6.455352360818575,"formula_full":"Ga1 Si6 Bi1 H54 C18 N4 Cl4","formula_reduced":"GaSi6BiH54C18(NCl)4","formula_anonymous":"ABC4D4E6F18G54","formation_energy":-0.2790905156454092,"spacegroup":1},{"id":"oqmd-683846","created_at":"2022-09-04T15:52:20.662123Z","updated_at":"2022-09-04T15:52:20.662150Z","structure_string":"Li8 B16 H24 O40\n1.0\n9.634048 0.000000 0.000000\n0.000000 8.246304 0.000000\n0.000000 0.000000 9.388124\nB H Li O\n16 24 8 40\ndirect\n0.404055 0.230230 0.033893 B\n0.095945 0.769770 0.033893 B\n0.250000 0.000000 0.101183 B\n0.260717 0.250000 0.250000 B\n0.239283 0.750000 0.250000 B\n0.250000 0.500000 0.398817 B\n0.404055 0.269770 0.466107 B\n0.095945 0.730230 0.466107 B\n0.904055 0.269770 0.533893 B\n0.595945 0.730230 0.533893 B\n0.750000 0.500000 0.601183 B\n0.760717 0.250000 0.750000 B\n0.739283 0.750000 0.750000 B\n0.750000 0.000000 0.898817 B\n0.904055 0.230230 0.966107 B\n0.595945 0.769770 0.966107 B\n0.068740 0.212473 0.099842 H\n0.431260 0.787527 0.099842 H\n0.628067 0.011074 0.141958 H\n0.871933 0.988926 0.141958 H\n0.692799 0.391767 0.227036 H\n0.807201 0.608233 0.227036 H\n0.692799 0.108233 0.272964 H\n0.807201 0.891767 0.272964 H\n0.628067 0.488926 0.358042 H\n0.871933 0.511074 0.358042 H\n0.068740 0.287527 0.400158 H\n0.431260 0.712473 0.400158 H\n0.568740 0.287527 0.599842 H\n0.931260 0.712473 0.599842 H\n0.128067 0.488926 0.641958 H\n0.371933 0.511074 0.641958 H\n0.192799 0.108233 0.727036 H\n0.307201 0.891767 0.727036 H\n0.192799 0.391767 0.772964 H\n0.307201 0.608233 0.772964 H\n0.128067 0.011074 0.858042 H\n0.371933 0.988926 0.858042 H\n0.568740 0.212473 0.900158 H\n0.931260 0.787527 0.900158 H\n0.050998 0.480426 0.164967 Li\n0.449002 0.519574 0.164967 Li\n0.050998 0.019574 0.335033 Li\n0.449002 0.980426 0.335033 Li\n0.550998 0.019574 0.664967 Li\n0.949002 0.980426 0.664967 Li\n0.550998 0.480426 0.835033 Li\n0.949002 0.519574 0.835033 Li\n0.353452 0.077671 0.007986 O\n0.146548 0.922329 0.007986 O\n0.009329 0.295634 0.046058 O\n0.490671 0.704366 0.046058 O\n0.347737 0.324524 0.138003 O\n0.152263 0.675476 0.138003 O\n0.174913 0.120741 0.189031 O\n0.325087 0.879259 0.189031 O\n0.609781 0.053236 0.240474 O\n0.890219 0.946764 0.240474 O\n0.609781 0.446764 0.259526 O\n0.890219 0.553236 0.259526 O\n0.174913 0.379259 0.310969 O\n0.325087 0.620741 0.310969 O\n0.347737 0.175476 0.361997 O\n0.152263 0.824524 0.361997 O\n0.009329 0.204366 0.453942 O\n0.490671 0.795634 0.453942 O\n0.353452 0.422329 0.492014 O\n0.146548 0.577671 0.492014 O\n0.853452 0.422329 0.507986 O\n0.646548 0.577671 0.507986 O\n0.509329 0.204366 0.546058 O\n0.990671 0.795634 0.546058 O\n0.847737 0.175476 0.638003 O\n0.652263 0.824524 0.638003 O\n0.674913 0.379259 0.689031 O\n0.825087 0.620741 0.689031 O\n0.109781 0.446764 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