mp-557176-2/Ba5B4O10F2/anharm

Space group: C2/c (15)
Link: Materials Project
Download: mp-557176-2.tar.gz

Equation of state

../../_images/fig_bm4262.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8383.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11782.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo8383.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc28145.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times14720.png — (a) Computation time