Screening of material defects using universal machine-learning interatomic potentials
收藏官方服务：
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.
提供机构：
Zenodo创建时间：
2025-03-25
