FINDSYM

FINDSYM

Version 7.1.6, Oct 2023
Harold T. Stokes, Branton J. Campbell, and Dorian M. Hatch, Department of Physics and Astronomy, Brigham Young University, Provo, Utah, 84602, USA, branton_campbell@byu.edu

Description: Identify the space group of a crystal, given the positions of the atoms in a unit cell.
Help, Version History

How to cite FINDSYM (cite both of the following):
H. T. Stokes, D. M. Hatch, and B. J. Campbell, FINDSYM, ISOTROPY Software Suite, iso.byu.edu.
H. T. Stokes and D. M. Hatch, "Program for Identifying the Space Group Symmetry of a Crystal", J. Appl. Cryst. 38, 237-238 (2005).

Import Data

Import structure from a CIF structure file:
show data in a form.

Enter Data

Title (copied to output)

Tolerance
Lattice: Atomic position: Atomic occupation: Magnetic moment: Rotational moment:

Lattice parameters that define a "conventional" unit cell. (alpha is the angle between b and c; beta is the angle between a and c; gamma is the angle between a and b.) Units for a,b,c are arbitrary. Units for alpha,beta,gamma are degrees.
a: b: c: alpha: beta: gamma:

Alternate method: enter cartesian coordinates of the basis vectors of the lattice. Units are arbitrary.

Automatically add additional atoms to the structure based on the specified centering type:
P I F A B C R

Use monoclinic settings with axes a(b)c c(-b)a ab(c) ba(-c) (a)bc (-a)cb
Use monoclinic settings with cell choice 1 2 3
Use orthorhombic settings with axes abc ba-c cab -cba bca a-cb
Use settings with origin choice 1 2
Use settings with hexagonal rhombohedral axes

Number of atoms in the unit cell:

Type of each atom in the unit cell. (Separate symbols by spaces.)

Position of each atom in the unit cell. Coordinates are given in terms of the three vectors above which define a conventional unit cell. Units are dimensionless. Enter each atom on a separate line.
Include occupation
Include magnetic moments. Give components along the three vectors above which define a conventional unit cell.
Include rotational moments. Give components along the three vectors above which define a conventional unit cell.

Click to submit data:

Click to reset data: