The role of molybdenum in suppressing cold dwell fatigue in titanium alloys

This dataset contains supporting data for the publication entitled "The role of molybdenum in suppressing cold dwell fatigue in titanium alloys" by the above authors to be published in Proceedings of the Royal Society A.It contains VASP input files and .xyz relaxed geometries of the DFT supercells used to compute the formation and binding energies in this paper.