Machine Learning Recognition of hybrid lead halide perovskites and perovskite-related structures out of X-ray diffraction patterns

• DOI: 10.48550/arxiv.2404.17294
• Publication Date: 2025-01-01
• Authors: E. I. Marchenko; V. V. Korolev; E. A. Kobeleva; N. A. Belich; N. N. Udalova; N. N. Eremin; E. A. Goodilin; A. B. Tarasov
• Keywords: Condensed Matter - Materials Science; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences

We proposed a simple approach for quickly identifying the dimensionality of inorganic substructures, types of connections of lead halide polyhedra and structure types using common powder XRD data and a ML-decision tree classification model.