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.
Porous 3D
Software package for modeling porous structures obtained from triply periodic surfaces based on atomic lattices of crystals. It allows you to create models for subsequent 3D printing and testing physical properties.
Software package for modeling porous structures obtained from triply periodic surfaces based on atomic lattices of crystals. It allows you to create models for subsequent 3D printing and testing physical properties.
Analysis
of cycles
and rings
Determination of all shortest cycles as well as rings and strong rings up to a specified size. Output of point and vertex symbols of a net.
of cycles
and rings
Determination of all shortest cycles as well as rings and strong rings up to a specified size. Output of point and vertex symbols of a net.