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_aijxyxfrtp4c_0 CS_da2b3v1dwtak_0 CS_w34fqh5s5wec_0 |
| Calculated Properties | |
| ColabFit ID | DS_styimm9cal6v_0 |
| Files | colabfitspec.json |
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