Optimized G688 schwarzite structures for C, BN, SiC, Si, and Ge

This dataset contains the optimized atomic structures used in our first-principles investigation of gyroid G688 schwarzites with C, BN, SiC, Si, and Ge compositions. The structural models were derived from the original G688 schwarzite structures reported by Terrones et al. (New Journal of Physics 5, 123, 2003; DOI: 10.1088/1367-2630/5/1/126), and subsequently reconstructed and reoptimized using the updated structural parameters and computational methodology described in the associated manuscript. The deposited files correspond to the structures employed in all calculations reported in the study.