Novel superhard semiconducting structures of C8B2N2 predicted using the first-principles approach

We predicted three novel superhard semiconducting structures of C 8 B 2 N 2 with a space group P 3 m 1 that have hardness values up to 82.4, 83.1, and 82.0 GPa and indirect band gaps of 4.164, 4.692, and 3.582 eV, respectively.