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Advances in graph neural networks for alloy design and properties predictions: a review

Figure 1. Various representations of the Ni3Al crystal structure. (A) Schematic diagram of the Ni3Al crystal structure, showing the arrangement of Ni and Al atoms in a cubic lattice; (B) Undirected graph representation of Ni3Al, where nodes represent atoms and edges represent ionic bonds; (C) Adjacency list representation of the Ni3Al structure, depicting the connections between atoms; (D) Adjacency matrix representation of Ni3Al, illustrating the connectivity between atoms in matrix form.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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