Institution: National Renewable Energy Laboratory Capability Node: NREL FPMT for Advanced Water Splitting Pathways Tags: BCM Data Source Type: Modeling and Simulation

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).