Target chemical composition (e.g., 'TiO2', 'LiMnO4')
Number of structure candidates to generate (best one returned). Must be between 1 and 20.
Generate a single crystal structure for a given composition using OMatG.
Part of service
OMatG API
Is supplement to
Philipp Höllmer et al. · Forty-second International Conference on Machine Learning · 2025
Execution
Usage
Great news on the DFT infrastructure — I've confirmed that Ouro has OMatG routes available...