DFT raw data for "Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase"

<p>This is the DFT data for &quot;<a href="https://pubs.rsc.org/en/content/articlehtml/2022/tc/d2tc01773c">Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase</a>&quot;&nbsp;https://doi.org/10.1039/D2TC01773C .&nbsp;</p> <p>It includes all predicted structures, the structure optimizations and the phonon computations in VASP format. Phonon computations were performed with the finite displacement method.</p>