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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.
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