After collecting all elements of the elastic matrix, the mechanical properties were computed based on Voigt, Reuss, and Hill approaches. The Voigt representation is an explicit function of the elastic constants 𝑐 𝑖𝑗 , while the Reuss notation is based on the inverse of the elastic matrix, denoted as 𝑠 𝑖𝑗 . A mechanical property calculated using the Voigt method represents the upper bound, and the Reuss method represents the lower bound. Whereas, the Hill approach represents the average between the former methods of properties evaluation. The equations used to calculate the bulk modulus (K), shear modulus (G), and young modulus (E) are listed in Table . The subscripts V, R, and H were used to define the properties associated with the before-mentioned methods, respectively. All the properties were calculated, at 0 K, in the units of GPa.