64,000 coordinate realizations span 16 design groups and 11 generator families. Colors identify design groups. The descriptors and embedding use geometry only: labels and mechanical properties do not enter the fit.
Axes have no physical units. UMAP approximates local geometric similarity; cluster shapes and global distances are not material laws. Nearby thumbnails use distance in this displayed map.
These are newly generated, unrelaxed structures, not 64,000 simulations from the original paper. Atoms lie in a plane at z = 10 Å, in a cell with Lz = 20 Å and periodicity x/y only. The vacuum cell height is not graphene thickness. Edges are unpassivated; stability and load-bearing paths require separate checks.
The library retains the earlier 16,384-design atlas and adds 47,616 designs. Distinct coordinate realizations do not necessarily imply distinct topology. No energies, forces or mechanical labels are supplied.
Dataset documentation, code and validation ↗
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