mp-17066-2/Y2TeO6/harm

Space group: P2_12_12_1 (19)
Link: Materials Project
Download: mp-17066-2.tar.gz

Equation of state

../../_images/fig_bm7101.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14180.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18573.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo14180.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6024.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6024.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc213808.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times23701.png — (a) Computation time