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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Al(HO)3 Remove constraint Keyword: Al(HO)3

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Ab-initio phonon calculation for Al(HO)3 / P2_12_12_1 (19) / materials id 985293

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Al(HO)3, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 27540

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Al(HO)3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Al(HO)3 / Pbca (61) / materials id 626605

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Al(HO)3, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Al(HO)3 / Cm (8) / materials id 626497

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Al(HO)3, Cm (8), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 625739

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Al(HO)3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 560196

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Al(HO)3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 560572

Description/Abstract:

Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Al(HO)3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

Limit your search

Type of work

Dataset7

Collection

MDR phonon calculation database7

Keyword

Al(HO)3[remove]7
Phonon7
P2_1/c (14)4
Cm (8)1
P2_12_12_1 (19)1
more Keywords »

Publisher

NIMS7

Resource type

Dataset7

Visibility

open7

Rights Statement Sim

Creative Commons BY Attribution 4.0 International7

Data origin

simulation[remove]7

Author

Atsushi Togo7

Funder

MEXT7

Software

VASP7
phonopy7
spglib7

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