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POSCAR2CIF:

POSCAR2CIF converter - determines space group and prepares a CIF-file from a POSCAR file. Detailed description can be found here.

Validity of the resulted CIF-file can be checked here.

Example: POSCAR

Authors: Harold T. Stokes (space group code), Maksim Rakitin (web interface)
POSCAR:

Note: POSCAR file must have the line with elements names!

Tolerance: default: 0.02, valid values: 0-0.2



Last updated: 2015-12-28 13:36:27 -0500 (Mon, 28 Dec 2015)