Step 1: Choose Bulk Phase Select from examples: Face-Centered Cubic (Al) Body-Centered Cubic (Fe) Diamond Cubic (Si) Hexagonal Close-Packed (Ti) Trigonal (Bi) Tetragonal (FePt) Orthorhombic (TiAl) Or enter MP ID:
Step 2: Structure Size (Angstroms) Grain Boundary Width: Grain Boundary Length: Grain A Thickness: Grain B Thickness:
Step 4: Additional Parameters Choose Vacuum Thickness (Angstroms) Choose Gap Thickness (Angstroms) Minimize (Non-Orthogonal) Structure