Scout candidate elements with GGen

Chemical system template with {X}, for example 'Fe-Bi-{X}'

Random seed for reproducibility

Named candidate element group

Candidate elements to exclude

Explicit candidate elements to scan

Largest unit cell size to consider during each scout scan. 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 each scout scan. Must be between 1 and 64.

Near-hull cutoff in eV/atom used for scout scoring. Must be between 0 and 2.

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

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

Controls scout depth by setting trials per stoichiometry for each candidate system. Must be between 1 and 100.

Target crystal systems used for scoring

Optimizer used for geometry relaxation

Controls scout breadth by limiting stoichiometries explored for each candidate system. Must be between 1 and 200.