In solid-state physics

Solid-state physics

Solid-state physics is the study of rigid matter, or solids, through methods such as quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from...

 and crystallography

Crystallography

Crystallography is the experimental science of the arrangement of atoms in solids. The word "crystallography" derives from the Greek words crystallon = cold drop / frozen drop, with its meaning extending to all solids with some degree of transparency, and grapho = write.Before the development of...

, when describing crystal structure

Crystal structure

In mineralogy and crystallography, crystal structure is a unique arrangement of atoms or molecules in a crystalline liquid or solid. A crystal structure is composed of a pattern, a set of atoms arranged in a particular way, and a lattice exhibiting long-range order and symmetry...

, a supercell is a repeating unit cell of the crystal that contains several primitive cell

Primitive cell

Used predominantly in geometry, solid state physics, and mineralogy, particularly in describing crystal structure, a primitive cell is a minimum cell corresponding to a single lattice point of a structure with translational symmetry in 2 dimensions, 3 dimensions, or other dimensions...

s. In some cases, these primitive cells of the underlying crystal are perturbed so that the supercell becomes the new primitive cell.

For example, in body-centered (bcc) or face-centered (fcc) cubic crystals, the primitive cell is a parallelepiped

Parallelepiped

In geometry, a parallelepiped is a three-dimensional figure formed by six parallelograms. By analogy, it relates to a parallelogram just as a cube relates to a square. In Euclidean geometry, its definition encompasses all four concepts...

 or rhombohedron

Rhombohedron

In geometry, a rhombohedron is a three-dimensional figure like a cube, except that its faces are not squares but rhombi. It is a special case of a parallelepiped where all edges are the same length....

, respectively, but the conventional unit cell used to describe these structures is a simple-cubic supercell.

Supercells are also commonly used in computational models of crystal defects, in order to allow the use of periodic boundary conditions.