DOI: 10.1107/s0021889808012016. <i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis

VESTA: a three-dimensional visualization system for electronic and structural analysis

10.1107/s0021889808012016

Crossref journal-article

International Union of Crystallography (IUCr)

Journal of Applied Crystallography (329)

Abstract

A cross-platform program,VESTA, has been developed to visualize both structural and volumetric data in multiple windows with tabs.VESTArepresents crystal structures by ball-and-stick, space-filling, polyhedral, wireframe, stick, dot-surface and thermal-ellipsoid models. A variety of crystal-chemical information is extractable from fractional coordinates, occupancies and oxidation states of sites. Volumetric data such as electron and nuclear densities, Patterson functions, and wavefunctions are displayed as isosurfaces, bird's-eye views and two-dimensional maps. Isosurfaces can be colored according to other physical quantities. Translucent isosurfaces and/or slices can be overlapped with a structural model. Collaboration with external programs enables the user to locate bonds and bond angles in the `graphics area', simulate powder diffraction patterns, and calculate site potentials and Madelung energies. Electron densities determined experimentally are convertible into their Laplacians and electronic energy densities.

Bibliography

Momma, K., & Izumi, F. (2008). VESTA: a three-dimensional visualization system for electronic and structural analysis. Journal of Applied Crystallography, 41(3), 653â658.

Authors 2

Koichi Momma (first)
Fujio Izumi (additional)

References 0 Referenced 5,586

None

Dates

Type	When
Created	17 years, 3 months ago (May 13, 2008, 1:05 p.m.)
Deposited	7 months, 1 week ago (Jan. 11, 2025, 9:40 a.m.)
Indexed	8 hours, 5 minutes ago (Aug. 21, 2025, 2:31 p.m.)
Issued	17 years, 3 months ago (May 14, 2008)
Published	17 years, 3 months ago (May 14, 2008)
Published Online	17 years, 3 months ago (May 14, 2008)
Published Print	17 years, 2 months ago (June 1, 2008)

Funders 0

None

BibTeX

@article{Momma_2008, title={VESTA: a three-dimensional visualization system for electronic and structural analysis}, volume={41}, ISSN={0021-8898}, url={http://dx.doi.org/10.1107/s0021889808012016}, DOI={10.1107/s0021889808012016}, number={3}, journal={Journal of Applied Crystallography}, publisher={International Union of Crystallography (IUCr)}, author={Momma, Koichi and Izumi, Fujio}, year={2008}, month=may, pages={653–658} }

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