遇见数据集

(02) SCIGEN-Generated Materials (After Pre-Screening)

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Figshare2024-06-24 更新2026-04-28 收录
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A subset of 794k materials that passed pre-screening filters from the raw dataset (01). Each ZIP folder contains a batch of CIF files.Material IDs follow the same lattice abbreviations listed in (01).Triangular: triHoneycomb: honKagome: kagSquare: sqrElongated triangular: eltSnub square: snsTruncated square: tsqSmall rhombitrihexagonal: srhSnub hexagonal: snhTruncated hexagonal: trhGreat rhombitrihexagonal: grtLieb: lieb

本数据集为原始数据集(01)中通过预筛选过滤得到的79.4万份材料子集。每个ZIP文件夹均包含一批CIF文件(Crystallographic Information File)。材料ID遵循原始数据集(01)中所列的晶格缩写规则,具体对应关系为:三角形(Triangular):tri、蜂窝状(Honeycomb):hon、笼目晶格(Kagome):kag、正方形(Square):sqr、伸长三角形(Elongated triangular):elt、扭歪正方形(Snub square):sns、截角正方形(Truncated square):tsq、小菱形三角六方晶格(Small rhombitrihexagonal):srh、扭歪六方晶格(Snub hexagonal):snh、截角六方晶格(Truncated hexagonal):trh、大菱形三角六方晶格(Great rhombitrihexagonal):grt、李布晶格(Lieb):lieb

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2024-06-24
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