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Encoding pure, modified and composite materials
The CurlySMILES language includes the stoichiometric formula notation (SFN) to encode a broad range of solids with known atomic or substructural stoichiometry. Further, a special format has been specified to generate CurlySMILES notations for composites or hybrid materials. The following examples illustrate material capturing with CurlySMILES: minerals, graphenes and stoichiometric derivatives, impure and doped compounds and lattice-defect structures.

Find more CurlySMILES encoding examples.