Atomic descriptors generated from coordination polyhedra in crystal structures

Article

Creator

Yuki Inada ; Yukari Katsura ; Masaya Kumagai ; Kaoru Kimura

Keyword

Materials informatics, machine learning, atomic descriptors, coordination polyhedra, formation energy prediction, band gap prediction

Date published

2021-01-01

Updated at

2024-11-21 16:35:29 +0900