AZU_BN/BCN: DATA

Data for reproducing bader charge analysis, band structure, molecular dynamics, phonon spectra and optical properties of four azugraphene-like structures, two inorganic (BN) and two hybrid (BCN). This work is part of a collaboration with Professors Sérgio Azevedo (UFPB/UFRN) and Leonardo D. Machado (UFRN).