10.48788/DVUA/PIPDML O.Y. Khyzhun0000-0002-2403-8607(Frantsevych Institute for Problems of Materials Science of NAS of Ukraine)N.M. Denysyuk0000-0002-0492-1945(Frantsevych Institute for Problems of Materials Science of NAS of Ukraine)O.O. Foia0009-0005-0814-5911(Frantsevych Institute for Problems of Materials Science of NAS of Ukraine) DataverseUA 2025 The obtained X-ray photoelectron spectroscopy (XPS) results provide detailed information on the electron energy distribution, their relationship with the chemical states of atoms, and the electronic structure of the material surface. High-resolution measurements of core-level and valence-band spectra were performed for the TIHgBr₃ single crystal grown using the Bridgman–Stockbarger method. This dataset allows analysis of the chemical composition and electronic structure of the TIHgBr₃ surface, assessment of the stability of elemental chemical states, and investigation of surface properties. The dataset contains experimental XPS data of the pristine surface only, suitable for comparative analysis and modeling of the electronic structure of halide materials. Spectra after Ar⁺-ion irradiation are not included. N.M. Denysyuk(Frantsevych Institute for Problems of Materials Science of NAS of Ukraine)