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1. Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) / materials id 28995

Description/Abstract:: Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: I4_1/a (88), Phonon, and Si(CuP2)4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023