Phonon database at 2015-11-24

Initial crystal structures used to calculate data in this section were obtained from the Materials Project using pymatgen. The reference and citation information about Materials Project, pymatgen, crystal structures are found at About crystal structures.

List of data

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The data are generated by automated first-principles phonon calculations. Basically these data in every entry are not well examined, therefore some are considered wrong.

The characters “dtgq” besides the compound names show available plots of phonon-DOS (d), thermal properties at constant volume (t), mode-Gruneisen parameters (g), and physical properties at 0GPa (q), respectively.