In order to obtain a charge-balanced model of the gallophosphate cloverite, the structure refined by Estermann et al. was taken from the IZADB. The fluorine atoms occupying the d4r units were removed, and all dangling oxygen atoms were saturated by hydrogen atoms. This structure was then optimized using dispersion-corrected density functional theory (DFT) calculations, employing two different exchange-correlation functionals, namely, the Perdew-Burke-Ernzerhof functional together with a Grimme-type D3 dispersion correction (PBE-D3)