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}
Skip formulas that already exist in the unified database
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.
Only generate formulas containing all requested elements
Include phase diagram HTML in the result bundle when possible
No compatible actions for routes yet
Start a long-running GGen chemical-system exploration. Results are returned asynchronously via Ouro webhook.