and Co(III) (mn34) clusters stood out by meeting multiple criteria. Most MOFs with Au(III)-pyrazolate clusters met the criteria for visible light absorption (Figure ), charge separation (Figure ), and alignment for HER and OER (Figure ). MOFs with Ti(IV)/Zr(IV) metal node (mn21) displayed lower electron effective masses (Figure ), adequate alignment for HER and OER (Figure ), and band gap in the visible range (Fig-