Chemistry and superconductivity of ternary H-C-S compounds at high pressures

Room temperature superconductivity has been discovered recently in H-C-S compounds.
However, its crystal structure including chemical composition is poorly understood. The phase diagram
of H-C-S compounds with variable stoichiometry is investigated using first-principles crystal structure
prediction at pressures up to 300 GPa. Several candidate structures are investigated including their
atomic, electronic, vibrational, electronic and superconducting properties. Raman spectra of various
compounds at different temperature are calculated and compared to available experimental data to
understand chemical evolution upon increase of compression pressure.