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

DOI

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

The 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

Identifier
DOI https://doi.org/10.18419/DARUS-5117
Related Identifier IsSupplementTo https://doi.org/10.1007/s11669-021-00877-x
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-5117
Provenance
Creator Ikeda, Yuji ORCID logo; Körmann, Fritz ORCID logo
Publisher DaRUS
Contributor Grabowski, Blazej; Ikeda, Yuji
Publication Year 2025
Funding Reference DFG 313773923 ; European Commission info:eu-repo/grantAgreement/EC/H2020/639211 ; NWO/STW VIDI 15707
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Grabowski, Blazej (University of Stuttgart); Ikeda, Yuji (University of Stuttgart)
Representation
Resource Type Dataset
Format application/gzip
Size 29055; 6486254146; 691584320; 5040038360
Version 1.0
Discipline Chemistry; Construction Engineering and Architecture; Engineering; Engineering Sciences; Natural Sciences; Physics