Structure builder

The structure builder lets you construct crystal geometries interactively without needing an existing file. Changes are reflected immediately in the 3D viewer.

What you can build

  • Supercells — repeat a unit cell along any combination of lattice vectors.
  • Slabs — cleave a surface at a chosen Miller plane and add vacuum.
  • Defects — introduce vacancies, interstitials, or substitutional dopants.
  • Alloys — replace atomic sites with a different species to model doped systems.
  • Nanotubes and heterostructures — combine unit cells along a chosen axis.

Symmetry detection runs automatically as you build, and the resulting geometry is available for export in all supported formats.

3D viewer controls

Rotate by clicking and dragging, zoom with the scroll wheel, and pan by holding Shift while dragging. Toggle periodic boundary conditions and orbital overlays from the viewer toolbar.

Related pages