Fullerene-like CSx: A first-principles study of synthetic growth

► Synthetic growth of Fullerene-Like Sulpho Carbide (FL-CSx) was studied by DFT. ► Precursors with impact for CSx are the neutrals SCCS, SCS, CCS, C2S4, and the anions CCS, C2S, C2. ► Similar to other FL-compounds, defects in CSx include pentagons. ► Structuraly, FL-CSx is between FL-Carbon Nitride and FL-Phosphorus Carbide.