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Ab-initio phonon calculation for Nd3NCl6 / Pbca (61) / materials id 570061

Description/Abstract:

Ab-initio phonon calculation for Nd3NCl6 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Nd3NCl6, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023