Optimized Sn, SnO2 and Sn/SnO2 structures by CASTEP in xzy file

Optimized Sn, SnO2 and Sn/SnO2 structures of with intermediates of CO2 reduction reaction at their lowest states by CASTEP in xzy file本数据集包含由CASTEP软件优化得到的锡（Sn）、二氧化锡（SnO₂）及锡/二氧化锡（Sn/SnO₂）结构，这些结构均带有处于最低能态的二氧化碳还原反应中间体，相关数据以XZY文件格式存储。