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Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 1439

Description/Abstract:

Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbcn (60), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 775938

Description/Abstract:

Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbcn (60), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023