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
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.
Calculated Property Types atomic_forces
cauchy_stress
energy
Elements Al (34.93%)
Cu (44.85%)
Mg (20.22%)
Number of Configurations 273
Number of Atoms 3,264
Links https://doi.org/10.24435/materialscloud:2019.0089/v1
https://doi.org/10.1016/j.jmps.2018.09.007
Configuration Sets by Name Al_Cu_Mg_GSFE_JMPS2019_Al — Configurations of aluminum from Al_Cu_Mg_GSFE_JMPS2019 dataset
Al_Cu_Mg_GSFE_JMPS2019_Cu — Configurations of copper from Al_Cu_Mg_GSFE_JMPS2019 dataset
Al_Cu_Mg_GSFE_JMPS2019_Mg — Configurations of magnesium from Al_Cu_Mg_GSFE_JMPS2019 dataset
Configuration Sets by ID CS_da2b3v1dwtak_0
CS_aijxyxfrtp4c_0
CS_w34fqh5s5wec_0
Calculated Properties
ColabFit ID DS_styimm9cal6v_0
Files colabfitspec.json

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