2mo

Input

Chemical formula string, e.g. 'SiO2' or 'Fe2O3'

International space-group number (1–230). If not provided, will randomly select from compatible space groups with preference for higher symmetry.. Must be between 1 and 230.

Number of trial crystals to generate and evaluate. Must be between 1 and 100.

Whether to perform geometry optimization on the best crystal (includes variable cell optimization using isotropic mode at 0 GPa)

Output
file.cif