Screening of material defects using universal machine-learning interatomic potentials
收藏Zenodo2025-07-28 更新2026-05-29 收录
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https://zenodo.org/doi/10.5281/zenodo.15025794
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资源简介：
This repository presents the two databases presented in the article "Screening of material defects using universal machine-learning interatomic potentials". It contains :
README.txt : Text file containing the instruction on how to use the databases.
Vacancies.db/Vacancies.json : Database containing the vacancy formation energies for all 86,259 materials.
2D_layers.db/2D_layers.json : Database containing the structures of the 8,017 layers obtained from chemical etching.
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Zenodo创建时间：
2025-03-25
