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1. Ab-initio phonon calculation for LiCrS2 / P-3m1 (164) / materials id 4226

Description/Abstract:: Ab-initio phonon calculation for LiCrS2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: LiCrS2, P-3m1 (164), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 25/05/2023