CASTEP supercell material data
File type: Various data file
A cell file is a plain-text input file used by CASTEP for material and supercell data.
It defines the structure that CASTEP uses for a materials simulation.
File type category:
Various data file
Date updated: October 7, 2026
The cell file extension is associated with CASTEP, a multiplatform materials-modelling and electronic-structure software package.
A cell file contains information about the material in the supercell. The supercell's size and shape, together with the ionic positions within it, must be specified.
The file can also contain other CASTEP input settings related to the structure and calculation. CASTEP reads the file as part of a calculation; it is an input file rather than a general-purpose document.
Use CASTEP to read a .cell file as input for a materials simulation. Because it is a plain-text file, it can also be inspected or edited with a text editor, although invalid changes may prevent CASTEP from using it.
CASTEP is available on multiple platforms.
A .cell file is a CASTEP input file, so it is not normally converted to another format. CASTEP uses it together with the other input files required for a calculation and produces calculation results separately.
To transfer the structure to another application, import the file with software that supports CASTEP cell files and export it in that application's preferred structure format.
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