Data for 'Deep-Learning-Assisted High-Throughput Discovery of Metallophilic MA₂Z₄ Nanomaterials'

These files accompany the manuscript 'Deep-Learning-Assisted High-Throughput Discovery of Metallophilic MA₂Z₄ Nanomaterials'. In this manuscript, the metallophilicity of ordered seven-atomic-layer MA₂Z₄ to a total of eight kinds of metal (Li, Na, K, Mg, Ca, Fe, Zn, and Al) anodes is investigated using density functional theory (DFT) and machine learning (ML) schemes.