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An atomic symbol represents a chemical
element of the periodic table. Within a notation,
it may not be clear whether a symbol represents a
single atom
of the denoted element or an
elemental substance assembled from
atoms of the element.
SMILES notations are typically employed in such a way that
[Au], for example, may refer to
a single gold atom or the elemental substance gold.
The interpretation depends on context. CurlySMILES
provides various means of distinction and specification by
anchoring an annotation to the atomic code. The notation
[Au]{!a}
encodes a gold atom. Notations
[Au]{sd},
[Au]{lq} and
[Au]{np},
encode gold as a solid, liquid and nanoparticle,
respectively. For other material states, forms and shapes
further shape and state annotations are available.
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A carbon atom is encodes as
[C]{!a},
while the carbon allotropes graphite and
diamond are encoded as
[C]{crall=graphite} and
[C]{crall=diamond},
wherein the annotation marker cr
indicates the crystalline state and the value of key
all specifies the particular allotrope.
Atomic layer graphene is encoded with marker
al as
[C]{alall=graphene}
(also see
graphenes and stoichiometric derivatives).
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