Apps
Determine
oxidation
state
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.
oxidation
state
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.
Calculating
instability
indices
Instability of the whole crystal intermetallic structure and separate positions of metal atoms are estimated using the close packing model.
instability
indices
Instability of the whole crystal intermetallic structure and separate positions of metal atoms are estimated using the close packing model.