Research data for "Harnessing metastable allotropes as reactants in catalytic ammonia synthesis"
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资源简介：
This dataset supports the paper "Harnessing metastable allotropes as reactants in catalytic ammonia synthesis" The dataset contains: -Inputs and outputs of the different DFT calculations - Python scripts to analyze the DFT results and to create the figures of the paper.
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Zenodo创建时间：
2026-07-01
