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

Name: Data for 'Deep-Learning-Assisted High-Throughput Discovery of Metallophilic MA₂Z₄ Nanomaterials'
Creator: Peng Zhang
Published: 2025-08-18T18:39:34.450Z
Keywords: 2D Nanomaterials

Zhang, Peng

doi:10.17632/8xbg2kcwyf.2

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

Published: 18 August 2025| Version 2 | DOI: 10.17632/8xbg2kcwyf.2

Contributor:

Peng Zhang

Description

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.

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

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