CrystalPredictor 1.0
Upload CIF file and get oxidation states for all metal atoms in full oxygen environment.
Drop CIF file with one structure here
or
Maximum file size - 2 MB
The oxidation state of a metal atom is determined based on the position of the atom in the Periodic
Table and geometrical descriptors of the atomic Voronoi polyhedron.
Drop CIF file with one structure here
or
Maximum file size - 2 MB
The oxidation state of a metal atom is determined based on the position of the atom in the Periodic
Table and geometrical descriptors of the atomic Voronoi polyhedron.
