Visualize crystal and molecular structures and build a visual understanding of complex materials. Create dynamic visualizations with rotatable animations. Use energy-modeling tools to design and relax new structures, predict their vibrational properties, and explore how they interface with other materials.
Simulate multi-phase X-ray, neutron and electron diffraction patterns, display reciprocal lattice sections and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, the program can auto-index the pattern and determine the orientation of the crystal.
The world of x-ray & neutron powder diffraction comes alive on the computer screen, with interactive control and easy characterization of your experimental data. Experiment with diffraction and sample settings using real-time parameter controls; combine these with instant mixture creation and the ability to load observed data.
CrystalMaker includes an integrated structures library with some 1200 structures: annotated, indexed and with previews - ready for immediate display. The library includes over 400 minerals (all the the major rock-forming minerals plus many more), as well as important inorganic and organic crystals and molecules: from buckyballs to zeolites, and from dental ceramics to high-Tc superconductors. Also included is a teaching library of crystal-chemical type structures, plus thematic libraries covering topics as diverse as chemical warfare, medicinal chemistry, food flavorings and more.
Stanford has subscriptions to the Cambridge Structural Database (CSD), WebCSD, and the Inorganic Crystal Structure Database (ICSD). You can search these databases and then import a limited number of structures into CrystalMaker.