A database of computed physical properties of minerals. The database 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. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory, using the ABINIT code.
“Welcome to the Wurm Project.” WURM, https://www.wurm.info/index.php?id=1.
crystal structures, minerals, spectra, properties,
Curator: shurafa