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Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) / materials id 626994

Description/Abstract:

Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba(HO)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) / materials id 626725

Description/Abstract:

Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba(HO)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) / materials id 626973

Description/Abstract:

Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba(HO)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) / materials id 627016

Description/Abstract:

Ab-initio phonon calculation for Ba(HO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba(HO)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023