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<<<!!!<<< The database is no longer available from 1st July 2018 >>>!!!>>> CRYSTMET was previously included in the NCDS as part of CrystalWorks. Unfortunately we are no longer able to license the CRYSTMET database for access through the NCDS. Therefore the database will no longer be accessible from 1st July 2018. >>>> CRYSTMET contains chemical, crystallographic and bibliographic data together with associated comments regarding experimental details for each study. It is a database of critically evaluated crystallographic data for metals, including alloys, intermetallics and minerals.Using these data, a number of associated files are derived, a major one being a parallel file of calculated powder patterns. These derived data are included within the CRYSTMET product.
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The WURM project is a database of computed Raman and infrared spectra and other physical properties for minerals. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory. The database is freely available for teaching and research purposes and is presented in a web-based format, hosted on the https://www.wurm.info/ web site. It provides the crystal structure, the parameters of the calculations, the dielectric properties, the Raman spectra with both peak positions and intensities and the infrared spectra with peak positions for minerals. It shows the atomic displacement patterns for all the zone-center vibrational modes and the associated Raman tensors. The web presentation is user friendly and highly oriented toward the end user, with a strong educational component in mind. A set of visualization tools ensures the observation of the crystal structure, the vibrational pattern, and the different spectra. Further developments include elastic and optical properties of minerals.