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  2. Unit cell - Wikipedia

    en.wikipedia.org/wiki/Unit_cell

    A parallelepiped is a general primitive cell for 3-dimensional space. For any 3-dimensional lattice, the conventional unit cells are parallelepipeds, which in special cases may have orthogonal angles, or equal lengths, or both. Seven of the fourteen three-dimensional Bravais lattices are represented using conventional primitive cells, as shown ...

  3. Bravais lattice - Wikipedia

    en.wikipedia.org/wiki/Bravais_lattice

    Primitive unit cells are defined as unit cells with the smallest volume for a given crystal. (A crystal is a lattice and a basis at every lattice point.) To have the smallest cell volume, a primitive unit cell must contain (1) only one lattice point and (2) the minimum amount of basis constituents (e.g., the minimum number of atoms in a basis).

  4. Crystal structure - Wikipedia

    en.wikipedia.org/wiki/Crystal_structure

    The unit cell is defined as the smallest repeating unit having the full symmetry of the crystal structure. [2] The geometry of the unit cell is defined as a parallelepiped, providing six lattice parameters taken as the lengths of the cell edges (a, b, c) and the angles between them (α, β, γ). The positions of particles inside the unit cell ...

  5. Lattice constant - Wikipedia

    en.wikipedia.org/wiki/Lattice_constant

    Unit cell definition using parallelepiped with lengths a, b, c and angles between the sides given by α, β, γ [1]. A lattice constant or lattice parameter is one of the physical dimensions and angles that determine the geometry of the unit cells in a crystal lattice, and is proportional to the distance between atoms in the crystal.

  6. Crystal system - Wikipedia

    en.wikipedia.org/wiki/Crystal_system

    For convenience a Bravais lattice is depicted by a unit cell which is a factor 1, 2, 3, or 4 larger than the primitive cell. Depending on the symmetry of a crystal or other pattern, the fundamental domain is again smaller, up to a factor 48.

  7. List of space groups - Wikipedia

    en.wikipedia.org/wiki/List_of_space_groups

    There are 230 space groups in three dimensions, given by a number index, and a full name in Hermann–Mauguin notation, and a short name (international short symbol). The long names are given with spaces for readability. The groups each have a point group of the unit cell.

  8. Periodic boundary conditions - Wikipedia

    en.wikipedia.org/wiki/Periodic_boundary_conditions

    PBC requires the unit cell to be a shape that will tile perfectly into a three-dimensional crystal. Thus, a spherical or elliptical droplet cannot be used. A cube or rectangular prism is the most intuitive and common choice, but can be computationally expensive due to unnecessary amounts of solvent molecules in the corners, distant from the ...

  9. Hexagonal crystal family - Wikipedia

    en.wikipedia.org/wiki/Hexagonal_crystal_family

    In either case, there are 3 lattice points per unit cell in total and the lattice is non-primitive. The Bravais lattices in the hexagonal crystal family can also be described by rhombohedral axes. [4] The unit cell is a rhombohedron (which gives the name for the rhombohedral lattice). This is a unit cell with parameters a = b = c; α = β = γ ...