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Solute interactions with the pyramidal-II stacking fault
DFT-optimized structures of the pyramidal-II stacking fault with a solute in different atomic layers near the fault plane. The dataset include the VASP input files (except... -
Solute interactions with the (10-12) tension twin boundary
DFT-optimized structures of the (10-12) tension twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR) and... -
Solute interactions with the (10-11) compression twin boundary
DFT-optimized structures of the (10-11) compression twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR)...