Institution: National Renewable Energy Laboratory Tags: DFT Calculation Technology Type: STCH Projects: STCH Supernode

Filter Results

  • 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)...
You can also access this registry using the API (see API Docs).