Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites.

This dataset contains detailed information on the structures studied in the following paper: "Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminium species in MOR and MFI zeolites". Our data include the computational results of the genetic algorithm runs conducted for each configuration and figures presented in the manuscript.

本数据集收录了下述论文所研究的结构的详细信息：《沸石中骨架外集合体的全局优化：论MOR与MFI型沸石中的骨架外铝物种结构》。本数据集包含针对每种构型执行遗传算法运算得到的计算结果，以及该论文原稿中展示的全部图表。