Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Dataset

DOI

Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi: 10.1016/j.actamat.2023.118986.

This data set contains

the training sets (VASP files), the utilized moment-tensor-potentials (MTP) and the final thermodynamic database (properties) for the three structures with PBE potential: 100APB, 111APB, bulk Ni3Al.

The used parameter settings are provided in the Supplementary Information of the publication, and a short method in its main text, for the reproduction of the results.

Identifier
DOI	https://doi.org/10.18419/darus-3579
Related Identifier	IsCitedBy https://doi.org/10.1016/j.actamat.2023.118986
Metadata Access	https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-3579

Provenance
Creator	Xu, Xiang
Publisher	DaRUS
Contributor	Xu, Xiang; Grabowski, Blazej
Publication Year	2023
Funding Reference	DFG EXC 2075 - 390740016
Rights	CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess	true
Contact	Xu, Xiang (Universität Stuttgart); Grabowski, Blazej (Universität Stuttgart)

Representation
Resource Type	Dataset
Format	text/plain; application/x-gzip
Size	128857; 128748; 580894549
Version	1.0
Discipline	Chemistry; Natural Sciences