Dataset
CoCrFeNiPd_MRL2020
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| Name | CoCrFeNiPd_MRL2020 |
|---|---|
| Extended ID | CoCrFeNiPd_MRL2020__Yin-Curtin__DS_4w9gf8dxzskh_0 |
| 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. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Co (24.51%) Cr (17.47%) Fe (10.73%) Ni (37.14%) Pd (10.15%) |
| Number of Configurations | 116 |
| Number of Atoms | 8,552 |
| Links |
https://doi.org/10.24435/materialscloud:2020.0045/v1 https://doi.org/10.24435/materialscloud:2020.0045/v1 |
| Configuration Sets by Name |
CoCrFeNiPd_MRL2020_Ni_1e-6 — Configurations of Ni calculated with energy cutoff setting of 1e-6 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni_1e-7 — Configurations of Ni calculated with energy cutoff setting of 1e-7 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni_4e-8 — Configurations of Ni calculated with energy cutoff setting of 4e-8 from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_CrFeCoNi — Configurations of CrFeCoNi from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_CrFeCoNiPd — Configurations of CrFeCoNiPd from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_Ni2Pd — Configurations of Ni2Pd from CoCrFeNiPd_MRL2020 dataset CoCrFeNiPd_MRL2020_NiCoCr — Configurations of NiCoCr from CoCrFeNiPd_MRL2020 dataset |
| Configuration Sets by ID |
CS_17ce4lf16rqk_0 CS_4vg8jrxjgwcv_0 CS_8dapeluqilb7_0 CS_kyguvd4llnat_0 CS_op6lgu3nr82m_0 CS_x5i9y22kll2f_0 CS_xlazccy48lo7_0 |
| Calculated Properties | |
| ColabFit ID | DS_4w9gf8dxzskh_0 |
| Files | colabfitspec.json |
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