colabfit/JARVIS_2DMatPedia

JARVIS 2DMatPedia数据集是JARVIS数据库的一个子集，包含了从2DMatPedia数据库中生成的二维材料配置，这些配置通过自上而下的剥离方法和自下而上的元素替换方法生成。JARVIS是一个为了满足当前材料设计挑战而构建的工具和数据集的集合。数据集包含了6351个独特的分子配置和66295个原子，涵盖了多种元素和性质，如能量、原子力、电子带隙和柯西应力等。

The JARVIS 2DMatPedia dataset is a subset of the JARVIS database, containing 2D material configurations generated from the 2DMatPedia database through a top-down exfoliation approach using structures from the Materials Project database and a bottom-up approach by replacing each element in a 2D material with another from the same group. JARVIS is a set of tools and datasets built to address current materials design challenges. The dataset includes 6351 unique molecular configurations and 66295 atoms, covering a variety of elements and properties such as energy, atomic forces, electronic band gap, and Cauchy stress.