five

(05) SCIGEN-Generated Materials with Ti or Cu Constraints (Raw Output)

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Figshare2025-08-18 更新2026-04-28 收录
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https://figshare.com/articles/dataset/_05_SCIGEN_s_output_materials_Ti_Cu_/29927816
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资源简介:
An additional dataset of 2.2 million materials, generated with SCIGEN by constraining selected atomic sites to Ti or Cu. Each ZIP folder contains a batch of CIF files. (No pre-screening applied.)Triangular: triHoneycomb: honKagome: kagSquare: sqrElongated triangular: eltSnub square: snsTruncated square: tsqSmall rhombitrihexagonal: srhSnub hexagonal: snhTruncated hexagonal: trhLieb: lieb
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2025-08-18
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