Datasets Master thesis Hebnes 2021

This dataset contains featurized data of 25212 entries based on entries in the Materials Project (MP) that has a structure deemed similar to an ICSD-entry and has a bandgap higher than 0.1eV calculated by GGA in MP.

本数据集包含25212条特征化数据，这些数据源自材料项目（Materials Project，MP）中满足如下条件的条目：其晶体结构被判定为与无机晶体结构数据库（Inorganic Crystal Structure Database，ICSD）条目相似，且通过广义梯度近似（Generalized Gradient Approximation，GGA）在MP中计算得到的带隙高于0.1eV。