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Ab-initio phonon calculation for SrZrO3 / Cmcm (63) / materials id 3626

Description/Abstract:

Ab-initio phonon calculation for SrZrO3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmcm (63), Phonon, and SrZrO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for SrZrO3 / I4/mcm (140) / materials id 5076

Description/Abstract:

Ab-initio phonon calculation for SrZrO3 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4/mcm (140), Phonon, and SrZrO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for SrZrO3 / Pnma (62) / materials id 4387

Description/Abstract:

Ab-initio phonon calculation for SrZrO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Phonon, Pnma (62), and SrZrO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023