Chemical system to explore, for example 'Fe-Mn-Si' or 'Li-Co-O'

Random seed for reproducibility

Largest unit cell size to consider during structure generation. Must be between 2 and 64.

Maximum relaxation steps per generated structure. Must be between 1 and 600.

Smallest unit cell size to consider during structure generation. Must be between 1 and 64.

Controls search depth by setting how many candidate structures GGen tries for each stoichiometry. Must be between 1 and 200.

Specific space group number or symbol to target

Near-hull cutoff in eV/atom for reporting promising phases. Must be between 0 and 2.

Maximum element fractions, for example {'Bi': 0.2}

Minimum element fractions, for example {'Fe': 0.4}

Optional crystal systems to target

Optimizer used for geometry relaxation

Controls search breadth by limiting how many stoichiometries GGen explores. Must be between 1 and 200.