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Description Vacancy Diffusion Properties from DFT Calculation: He, hcp

Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-23156) because the author said they use similar DFT input parameters as the items in the Materials Project.
The supported atomic species.
Data Method computation
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Thomas Angsten HW Tam Mayeshiba, Morgan D (2014) Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures. New Journal of Physics 16(1):015018. doi:10.1088/1367-2630/16/1/015018

Jain A, et al. (2013) Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Materials 1(1):011002. doi:10.1063/1.4812323

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
Citable Link https://openkim.org/cite/RD_002707504060_000
KIM Item TypeReference Data
Properties as defined in kimspec.edn.


RD_002707504060_000.txz Tar+XZ Linux and OS X archive
RD_002707504060_000.zip Zip Windows archive


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