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A computational study of the thortveitite structure of zinc pyrovanadate, Zn(2)V(2)O(7), under pressure

We performed a pressure-driven study of zinc pyrovanadate, Zn(2)V(2)O(7), using the first-principles approach under the framework of density functional theory (DFT). Zn(2)V(2)O(7) crystalizes in a monoclinic (α-phase) structure with the space group C2/c at ambient pressure. In comparison with the am...

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Detalles Bibliográficos
Autores principales:	Reza, S., Maaza, M., Islam, M. S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10248763/ https://www.ncbi.nlm.nih.gov/pubmed/37304767 http://dx.doi.org/10.1039/d3ra02426a

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