Supporting Information for Computational Screen of M2P Metal Phosphides for Catalytic Ethane Dehydrogenation

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Published March 29, 2022 | Version v1

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Supporting information for Computational Screen of M₂P Metal Phosphides for Catalytic Ethane Dehydrogenation.

This repository includes input files (INCAR, KPOINT) for VASP and DFT-computed CONTCAR files discussed in the manuscript.

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License: Creative Commons Attribution 4.0 International

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