Perovskite or Not Perovskite? A Deep-Learning Approach to Automatically Identify New Hybrid Perovskites from X-ray Diffraction Patterns.

Determining the crystal structure is a critical step in the discovery of new functional materials. This process is time consuming and requires extensive human expertise in crystallography. Here, a machine-learning-based approach is developed, which allows it to be determined automatically if an unknown material is of perovskite type from powder X-ray diffraction.