With CrystalMaker you can build any kind of crystal or molecular structure - quickly and easily. Built-in symmetry handling and the elegant spacegroup browser takes the slog out of crystallography, and the program will automatically generate all your bonds and polyhedra. Molecule building is even easier: point-and-click to add atoms and bonds. Use the new Relax command to minimize energy and optimize your structure.ĬrystalMaker provides a wide range of model types, including traditional "ball-and-stick", space-filling, polyhedral, wireframe and thermal ellipsoids. Each model type can be extensively customized, with the option of photo-realistic graphics or simpler, line-art display. Load structural data from 25+ formats, including Cambridge Structures Database, Protein Data Bank, CIF, GSAS, SHELX, TOPAS, DL_POLY, VASP, etc. You can work with virtually unlimited numbers of atoms. The crystals studied include cerium dioxide and the two sesquioxides along with some selected intermediate phases which are crystallographically well characterized. Take advantage of our unique "Depth Profiling" tool, to rapidly scan ares of interest in massive structures - ideal for characterizing the results from computer models.Ī range of output options is available for sharing data with other programs, saving structural data, bond distances, coordination environments - or even building web pages with your data. We have applied the bond valence method to cerium oxides to determine the oxidation states of the Ce ion at the various site symmetries of the crystals. ![]() ![]() Outstanding 3D GraphicsĬlick-and-drag with the mouse, use the keyboard, or toolbar. View parallel to a vector or plane normal.
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