Dataset

CoCrFeNiPd_MRL2020


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Name :
CoCrFeNiPd_MRL2020
Extended ID :
CoCrFeNiPd_MRL2020__Yin-Curtin__DS_4w9gf8dxzskh_0
ColabFit ID :
DS_4w9gf8dxzskh_0
Files :
colabfitspec.json
Description :
The dataset for "Origin of high strength in the CoCrFeNiPd high-entropy alloy", containing DFT-calculated values of the high-entropy alloy CoCrFeNiPd, created to explore the reasons behind experimental findings of the increased strength CoCrFeNiPd in comparison to CoCrFeNi.
Authors :
Binglun Yin, W. A. Curtin
DOI :
10.60732/74f33a37 https://commons.datacite.org/doi.org/10.60732/74f33a37 https://doi.datacite.org/dois/10.60732%2F74f33a37 https://doi.org/10.60732/74f33a37 Cite as: Yin, B., and Curtin, W. A. "CoCrFeNiPd MRL2020." ColabFit, 2024. https://doi.org/10.60732/74f33a37.
For other citation formats, see the DataCite Fabrica page for this dataset.
Num. Configurations :
102
Num. Atoms :
8,508
Downloads :
19
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Co (24.64%) Cr (17.56%) Fe (10.79%) Ni (36.81%) Pd (10.2%)
Methods :
DFT-PBEsol
Software :
VASP
Publication Link :
https://doi.org/10.24435/materialscloud:2020.0045/v1
Data Source Link :
https://doi.org/10.24435/materialscloud:2020.0045/v1
Configuration Sets by Name :
Configuration Sets by ID :
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