A single structure materials model is a materials model that specify the ensemble of relevant microstates of a material as a single structure. A structure refer to the geometrical configuration of specific atomic species. It may be partially or fully periodic or non-periodic. That is, depending on the periodicity it represents a bulk single crystal, slab, wire or molecule.
A structure may encompass a restricted ensemble of geometric realizations to the degree that can be described by disordered occupation on specific sites, or as disordered correlated occupations as can be described as assemblies.
A structure may encompass a level of uncertainty in geometric realization with implicit atoms and site attachments.
A single structure materials model is a materials model that specify the ensemble of relevant microstates of a material as a single structure. A structure refer to the geometrical configuration of specific atomic species. It may be partially or fully periodic or non-periodic. That is, depending on the periodicity it represents a bulk single crystal, slab, wire or molecule.
A structure may encompass a restricted ensemble of geometric realizations to the degree that can be described by disordered occupation on specific sites, or as disordered correlated occupations as can be described as assemblies.
A structure may encompass a level of uncertainty in geometric realization with implicit atoms and site attachments.
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A single structure materials model is a materials model that specify the ensemble of relevant microstates of a material as a single structure. A structure refer to the geometrical configuration of specific atomic species. It may be partially or fully periodic or non-periodic. That is, depending on the periodicity it represents a bulk single crystal, slab, wire or molecule.
A structure may encompass a restricted ensemble of geometric realizations to the degree that can be described by disordered occupation on specific sites, or as disordered correlated occupations as can be described as assemblies.
A structure may encompass a level of uncertainty in geometric realization with implicit atoms and site attachments.
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