Build and Visualize Crystals and Surfaces

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Crysalis BuildVis

Build and Visualize Crystals and Surfaces

Built on expertise drawn from ICI plc and the University of Durham, and further developed in Oxford Materials and Intelligensys, Crysalis BuildVisis specially designed to facilitate building crystals and crystal surfaces.

You can model inorganic materials including

  • Ceramics
  • Catalysts
  • Fast-ion conductors
  • Sensors
  • High Tc superconductors

Because Crysalis BuildViscan deal with bonded systems, it is also useful for organic systems, and for those inorganic systems with 'bonded' entities, like carbonates, nitrates or phosphates. Building surfaces is easy, since the Crysalis Builderdoes not cut through bonds, but maintains the whole molecule intact.

The main components in the Crysalis BuildVissuite are:

The cell and crystal Builder
This allows you to build a crystal structure from crystallographic information, or from structures output from previous calculations. You can generate unit cells, supercells, periodic structures and surfaces of specified sizes and orientations using the Miller indices, while preserving the integrity of molecules and polyatomic ions. Surface terminations can be automatically located based on the surface dipole and net charge. Information about the structures that are generated, including charges and dipoles, is displayed as an additional check.

The Visualizer
The visualizer lets you look at the periodic structures in a variety of display styles - ball-and-stick, sticks only, full sphere radii and transparent modes. You can rotate the image in controlled steps, overlay the unit cell and/orsurface plane, measure bond distances and bond angles using simple point-and-click operations.

Crysalis BuildVis includes a database of ionic radii and colours, based on atom type and charge, which can be modified and saved. This makes it exceptionally useful for inorganic systems where ionic, not covalent, radii are used.

Crysalis BuildVis uses text-based files similar to the popular CSSR format, allowing easy transfer to and from other programs. Like all Windows-based packages, getting pictures for reports and presentation graphics is straightforward.

Crysalis BuildVis and Lafite are available together in OxMat's Inorganics Suite. Download a 30-day evaluation of the Inorganics Suite here.

Hardware Requirements

PC running Windows 9x, NT, 2000 or XP.

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