End-member compounds of a 4-sublattice model of multicomponent BCC solid solutions

The article presents ab initio calculated properties (total energies, lattice parameters, and elastic properties) for the complete set of 1540 end-member compounds within a 4-sublattice model of Fe-based solid solutions. The compounds are symmetry-distinct cases of integral site occupancy for supers...

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Detalles Bibliográficos
Autores principales: Delandar, Arash Hosseinzadeh, Gorbatov, Oleg I., Selleby, Malin, Gornostyrev, Yuri N., Korzhavyi, Pavel A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6138841/
https://www.ncbi.nlm.nih.gov/pubmed/30225316
http://dx.doi.org/10.1016/j.dib.2018.08.086

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6138841/
https://www.ncbi.nlm.nih.gov/pubmed/30225316
http://dx.doi.org/10.1016/j.dib.2018.08.086

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