Short-range order structures of Ni-based FCC ternary and quaternary alloys

Tamm, Artur
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README2.275KbREADME-file
2015-MC-DFT_structures.tar.gz10.75MbCompressed archive containing structures and descriptions
LICENSE18.22KbLicense of the dataset
CITE294bytesFor citations
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Date
2025
URI
https://datadoi.ee/handle/33/680
https://doi.org/10.23673/re-518
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Abstract
This dataset contains structures (VASP format) of Ni-based ternary (NiCrCo) and quaternary (NiCrCoFe) equimolar alloys obtained from MC-DFT simulations. The initial structures with random ordering are included as well.
Keyword
MC-DFT; structure; short-range order; special quasi-random structure; NiCrCo; NiCrCoFe
Item type
info:eu-repo/semantics/dataset
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Except where otherwise noted, this item's license is described as info:eu-repo/semantics/openAccess