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Ab-initio phonon calculation for Na2SO4 / Fddd (70) / materials id 4770

Description/Abstract:

Ab-initio phonon calculation for Na2SO4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Fddd (70), Na2SO4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Na2SO4 / Cmcm (63) / materials id 3143

Description/Abstract:

Ab-initio phonon calculation for Na2SO4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmcm (63), Na2SO4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for Na2SO4 / Pnma (62) / materials id 505274

Description/Abstract:

Ab-initio phonon calculation for Na2SO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Na2SO4, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023