Institution: National Renewable Energy Laboratory Tags: BCM DFT Calculation Projects: STCH Supernode Capability Node: NREL FPMT for Advanced Water Splitting Pathways

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  • BCM polytype structures from DFT

    4 Resources
    This dataset contains structure files and results of density functional theory (DFT) calculations for the 12R (ground state) and 10H (metastable at ambient temperature)...
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