The only computational study investigating an appreciable range of PS semiconductors for optoelectronic applications is the DFT screening study by Han and Ebert. The authors considered 18 ternary thiophosphates with a MPS 3 (M = Na, K, Rb, Cs, Cu, Ag), MPS 4 (M = B, Al, Ga, In, Sb, Bi) and M 3 PS 4 (M = Li, Na, K, Rb, Cu, Ag) composition. All these compounds are based on the tetrahedral [PS 4 ] 3-or [P 2 S 6 ] 2- polyanions but have different crystal structures. Band gaps between 1.7 and 4.1 eV were determined with the state-of-theart HSE06 functional. Many of the investigated materials had sufficiently low carrier effective masses to be considered for optoelectronic applications where electronic transport matters. Na 3 PS 4 revealed high p-type dopability, a band gap above 3 eV and a low hole effective mass, making it a potential p-type transparent conductor. Ag 3 PS 4 was identified as the most promising PV absorber in the study, due to a direct band gap in the visible and lack of deep defects with a low formation energy. Since the band alignment of Ag 3 PS 4 with the water redox potentials was found to be favorable, Ag 3 PS 4 was also suggested as a potential PEC water splitting absorber. Both Na 3 PS 4 and Ag 3 PS 4 are 3D PSs.