AFLOW-XtalFinder identifies and classifies prototype structures. The following functionality is supported online:
  • Ideal prototyper: Calculate the AFLOW prototype label and internal degrees of freedom for an input structure.
  • Match to prototypes: Identify if the input structure matches to any AFLOW prototypes.
  • Find isopointal prototypes: Determine if the input structure is isopointal (same stoichiometry and symmetry) to any AFLOW prototypes.

Please upload a geometry file.

  • Supported file formats (auto-detected): VASP, QuantumEspresso, FHI-AIMS, ABINIT, WYCCAR, CIF, and ELK.

Input structure:


Ideal prototype:

Matching AFLOW prototypes:

Isopointal (same symmetry) AFLOW prototypes: