fig10

Figure 10. Binary-alloy structure conversion to a graph representation. The crystalline super-cell is first tiled to expose periodicity, after which each atom is mapped to a node carrying its element type, and every pair of atoms within a chosen cutoff radius is mapped to an edge weighted by inter-atomic distance. The resulting graph preserves both chemical identity and local geometry, providing a compact input for GNNs that predict alloy properties while remaining agnostic to cell size. GNNs: Graph neural networks.