ACE models used in the manuscript titled "Atomic cluster expansion modelling of vacancy energetics in Pt-Au alloy"
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资源简介：
This data repository contains the ACE models generated as a part of iterative procedure for predicting vacancy formation energies at bulk and sigma5 GB sites.Use these models along with the script provided at the GitHub repo here: https://github.com/hari-ushankar/PtAu-ACE
创建时间：
2025-11-10
