[22p-52A-1~17] 23.1 Joint Session N "Informatics"

3:15 PM - 3:30 PM JST(6:15 AM - 6:30 AM UTC)

[22p-52A-9] Thermoelectric material property mapping and optimal material estimation using crystal grap

〇Yusuke Hashimoto¹, Jiu Xue², Li Hao², Takaaki Tomai¹ (1.FRIS Tohoku Univ., 2.AIMR Tohoku Univ.)

Keywords:

Materials Informatics,Thermoelectric materials,Crystal graph

From approximately 150,000 crystalline material data obtained from the Materials Project, features are extracted using crystal graphs, and a global map of material properties is created by dimensionality reduction. The thermoelectric materials derived from the previous studies are plotted on this map, and while showing a relatively wide distribution, we found areas of data concentration in some regions. Statistical analysis will be performed for each cluster classified by the glass-stuffing method, and an efficient and effective method of deriving optimal materials will be discussed.