This database is currently under development! Expect some links not to be active. New features are added weekly.

N-Butyl-4,6-diphenylpyrimidin-2-amine * Band gap: 2.31 eV in crystal, 2.68 eV in gas (YAGSUW)
Home Updates Documentation Login/Signup or Logout
New: Dispersion Energies now available! New: Download Optimized Structures in .CIF format