Theoretical Insight on Anion Ordering, Strain and Doping Engineering on the Oxygen Evolution Reaction in BaTaO2N
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https://figshare.com/articles/dataset/Theoretical_Insight_on_Anion_Ordering_Strain_and_Doping_Engineering_on_the_Oxygen_Evolution_Reaction_in_BaTaO2N/13318256
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资源简介：
The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online https://jp-minerals.org/vesta/en/. The related calculated total energy and input set parameters could be seen in the OUTCAR files.
创建时间：
2021-04-26
