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What is Perovskite Structure Classification Using ML about?

This study presents a machine learning approach using the Light Gradient Boosting Machine (Light GBM) algorithm to classify the crystal structures of ABO3 perovskites into cubic, tetragonal, orthorhombic, and rhombohedral categories. By analyzing features such as electronegativity, ionic radius, and bond lengths, the model achieved an accuracy of 80.3% on a dataset of 675 compounds. The findings aim to enhance material design in ceramic engineering and solid-state chemistry through efficient crystal structu

Author

coc17v

Language

EN