摘要：Here we provide a database of simulated carbon K (C-K) edge core loss spectra of 117,340 symmetrically unique sites in 22,155 molecules with no more than eight non-hydrogen atoms (C, O, N, and F) . Our database contains C-K edge spectra of each carbon site and those of molecules along with their excitation energies . Our database is useful for analyzing experimental spectrum and conducting spectrum informatics on organic materials .
