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The configurations of metal/H-diamond (111) interfaces

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Mendeley Data2026-04-09 收录
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The data is about the configurations of metal/H-diamond (111) interfaces, which is the reserach subject of the article "Electronic Structures of metal/H-diamond (111) interfaces by Ab-initio Studies". With the .cif profiles provided below, everyone can reproduce the data and the conclusions in the article.

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