BiVO4-bulk.xyz structure of bulk BiVO4 BiVO4-epol-semilocal.xyz structure of BiVO4 with el polaron (semilocal) BiVO4-epol-pbe0.xyz structure of BiVO4 with el polaron (hybrid) MgO-bulk.xyz structure of bulk BiVO4 MgO-hpol-semilocal.xyz structure of MgO with hole polaron (semilocal) MgO-hpol-pbe0.xyz structure of MgO with hole polaron (hybrid) SiO2-bulk.xyz structure of bulk SiO2 SiO2-Al-e.xyz structure of Al-doped SiO2 with one electron SiO2-Al-hdel.xyz structure of Al-doped SiO2 with the hole delocalized over four O atoms SiO2-Al-hpol-semilocal.xyz structure of Al-doped SiO2 with the hole polaron (semilocal) SiO2-Al-hpol-pbe0.xyz structure of Al-doped SiO2 with the hole polaron (hybrid)