lamm-mit/graphene-design-universe-256k

Graphene Design Universe 256K 256,000 unrelaxed atomistic graphene designs, with images, full periodic cells, standard extended XYZ coordinates, reproducible recipes, geometry-quality flags and a geometry-similarity explorer. Interactive 256K explorer · Preserved 64K release · 4K movie This expansion preserves all 64,000 prior designs, IDs and coordinate-file bytes and adds 192,000 new designs. It broadens the original 16 groups and adds eight hybrid motif groups. The… See the full description on the dataset page: https://huggingface.co/datasets/lamm-mit/graphene-design-universe-256k.

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