%0 Journal Article %K Extrinsic solute site preference %K Intermetallic compound %K Intrinsic point defect %K Python %A Hong Ding %A Bharat Medasani %A Wei Chen %A Kristin A Persson %A Maciej Haranczyk %A Mark D Asta %B Computer Physics Communications %D 2015 %G eng %P 118-123 %R 10.1016/j.cpc.2015.03.015 %T PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds %V 193 %8 03/2015