Equilibrium tellurium isotope fractionation in tellurides: A first-principles study

Data package associated with the manuscript “Equilibrium tellurium isotope fractionation in tellurides: A first-principles study”. The data include the calculated crystal data and phonon frequencies for all the minerals investigated in the present study. The layered tellurides, including Joséite-A, tellurantimony, vulcanite, tsumoite, and tellurobismuthite, were calculated using PBE-D3.