Activity1 - HEA Structures and DFT data
收藏DataCite Commons2026-01-19 更新2026-05-07 收录
下载链接：
https://dataverse.unimi.it/citation?persistentId=doi:10.13130/RD_UNIMI/WWISWF
下载链接
链接失效反馈官方服务：
资源简介：
This dataset containes a number of high entropy alloy (HEA) structures made by Mn, Fe, Co, Ni, Cu, in different geometrical and compositional combinations.
Each structure is in a separate subfolder containing the SIESTA input (with extension .fdf) and output (with extension .out) files.
Information of coordinates and cell vectors are contained in the siesta input file, as well as the parameters of the SIESTA calculation.
DFT data (one-shot-energy calculations) are in the SIESTA output file.
提供机构：
UNIMI Dataverse
创建时间：
2026-01-14
