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Data for: Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study

, and . Dataset, (2025)Related to: Y. Ikeda and F. Körmann, Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study, J. Phase Equilib. Diff. 42, 551 (2021). doi: 10.1007/s11669-021-00877-x.
DOI: 10.18419/darus-5117

Abstract

Data for the Publication Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio StudyThe dataset contains the DFT data (VASP OUTCARs) that can reproduce the results. The following systems are included: N2 molecule, CrMnFeCoNi without interstitial N, CrMnFeCoNi with N at the octahedral and the tetrahedral interstitial sites.

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