mp-555946-2/Pb2CO3F2/anharm

Space group: Pbcn (60)
Link: Materials Project
Download: mp-555946-2.tar.gz

Equation of state

../../_images/fig_bm4396.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8713.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12245.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo8713.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc28474.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times15266.png — (a) Computation time