PMG calculated the electrochemical stability of Pt-126 at pH=0, V=0.9 as 0.861eV/atom. and I calculated that number differently a month ago (0.881eV/atom). I cannot figure out why anymore. So I updated the expected number, verified the 0.861 eV/atom is actually correct with the old PMG version (2018.9.1), as well as verified with the Pourbaix diagram on the MP website. In addition, I also added IrO2 bulk stability as a baseline for comparison.
PMG calculated the electrochemical stability of Pt-126 at pH=0, V=0.9 as 0.861eV/atom. and I calculated that number differently a month ago (0.881eV/atom). I cannot figure out why anymore. So I updated the expected number, verified the 0.861 eV/atom is actually correct with the old PMG version (2018.9.1), as well as verified with the Pourbaix diagram on the MP website. In addition, I also added IrO2 bulk stability as a baseline for comparison.