BiVO4-bulk.xyz structure of bulk BiVO4 BiVO4-epol-dftu.xyz structure of electron polaron in BiVO4 (DFT+U) BiVO4-epol-pbe0.xyz structure of electron polaron in BiVO4 (hybrid) MgO-bulk.xyz structure of bulk MgO MgO-hpol-dftu.xyz structure of hole polaron in MgO (DFT+U) MgO-hpol-pbe0.xyz structure of hole polaron in MgO (hybrid) MgO-Li-e-dftu.xyz structure of Li-doped MgO with charge -1 (DFT+U) MgO-Li-e-pbe0.xyz structure of Li-doped MgO with charge -1 (hybrid) MgO-Li-hpol-dftu.xyz structure of Li-trapped hole in MgO (DFT+U) MgO-Li-hpol-pbe0.xyz structure of Li-trapped hole in MgO (hybrid) SiO2-bulk.xyz structure of bulk SiO2 SiO2-Al-e-dftu.xyz structure of Al-doped SiO2 with charge -1 (DFT+U) SiO2-Al-e-pbe0.xyz structure of Al-doped SiO2 with charge -1 (hybrid) SiO2-Al-hpol-dftu.xyz structure of Al-trapped hole in a-SiO2 (DFT+U) SiO2-Al-hpol-pbe0.xyz structure of Al-trapped hole in a-SiO2 (hybrid)