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Figure 1
Voxel diagram of the metal complex. Create a 64 × 64 × 64 × 3 array and specify the colour of each element [R, G, B] for the voxels within a radius r centred on the atom position. [0,0,0] is specified for empty space. In addition, the size of the sphere was changed for each element in proportion to the ionic radius. It is an intuitive and highly versatile descriptor, requiring no special pre-processing.

IUCrJ
Volume 11| Part 2| March 2024| Pages 182-189
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524000770