Dataset

Al_Cu_Mg_GSFE_JMPS2019


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Name :
Al_Cu_Mg_GSFE_JMPS2019
Extended ID :
Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0
ColabFit ID :
DS_styimm9cal6v_0
Files :
colabfitspec.json
Description :
Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg.
Authors :
Binglun Yin, Predrag Andric, W. A. Curtin
DOI :
10.60732/861da1bc https://commons.datacite.org/doi.org/10.60732/861da1bc https://doi.datacite.org/dois/10.60732%2F861da1bc https://doi.org/10.60732/861da1bc Cite as: Yin, B., Andric, P., and Curtin, W. A. "Al Cu Mg GSFE JMPS2019." ColabFit, 2024. https://doi.org/10.60732/861da1bc.
For other citation formats, see the DataCite Fabrica page for this dataset.
Num. Configurations :
272
Num. Atoms :
3,264
Downloads :
15
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Al (34.93%) Cu (44.85%) Mg (20.22%)
Methods :
DFT-PBE
Software :
VASP
Publication Link :
https://doi.org/10.1016/j.jmps.2018.09.007
Data Source Link :
https://doi.org/10.24435/materialscloud:2019.0089/v1
Configuration Sets by Name :
Configuration Sets by ID :
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