Find Empty Space

Find Empty Space places non-overlapping spheres in the center of Voronoi cells.

The resulting complete list of interstitial sites is a crucial ingredient for diffusion studies or reactions in porous systems.

Find Empty Space

Results from Find Empty Space

  • size and coordination of voids
  • insert atom into center of void
  • sort voids by volume, coordination, symmetry, ..

Part of MedeA® core framework.