Fig. 1: Lithium diffusion paths projected onto a 2 × 2 × 2 supercell of FeSO4F. | Nature Communications

Fig. 1: Lithium diffusion paths projected onto a 2 × 2 × 2 supercell of FeSO4F.

From: Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements

Fig. 1

Elements are represented by white spheres (oxygen), black spheres (fluorine), dark gray octahedra (iron), and light gray tetrahedra (sulfur). The small red spheres represent the lithium diffusion path in the [111] direction, from the large green sphere (initial lithium site) to the large red sphere (final lithium site). The diffusion paths in the [101] and [100] directions are represented by purple and blue spheres, respectively. The figure is drawn using the VESTA visualization package31.

Back to article page