Browse Database
Browse Database
In this database, you can find a collection of Raman spectra calculated from first principles and other related properties of a large variety of semiconductor and insulators. There are interactive Raman/IR spectra with raw data of calculated tensors on each structure page. The materials can be searched using formula, the number of atoms, Materials project id, dimensionality, and a lot of other keywords. Our database of Raman tensors is built on top of Phonon Database of Prof. Atsushi Togo, with many of the shown phonon properties coming directly from this database. In addition, some properties from the Materials Project database are also shown. A paper describing the dataset can be found here: Bagheri, M., Komsa, HP. High-throughput computation of Raman spectra from first principles. Sci Data 10, 80 (2023). If you are using data from this website in your research, please cite the paper. We hope that the Computational Raman database will be useful as a reference for unknown Raman spectra identification, spectra analysis, and material characterization for experimental and computational researchers alike.
Interactive Raman spectra updated.
A blog post published on Nature Portfolio and Springer Nature Communities about CRD.
The dataset corresponding manuscript published in Scientific Data
Raman activity figure with stoichiometry keyword added.
First version of Computational Raman Database with more than 5000 spectra released.