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Filtering by: Keyword P2/c (13) Remove constraint Keyword: P2/c (13) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for ScTaO4 / P2/c (13) / materials id 558781

Description/Abstract:

Ab-initio phonon calculation for ScTaO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2/c (13), Phonon, and ScTaO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364

Description/Abstract:

Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Na6Ti2O7, P2/c (13), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) / materials id 40484

Description/Abstract:

Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

NaNd3Ti2(SbO7)2, P2/c (13), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) / materials id 40478

Description/Abstract:

Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

NaDy3Ti2(SbO7)2, P2/c (13), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbZn4(BO3)3 / P2/c (13) / materials id 542143

Description/Abstract:

Ab-initio phonon calculation for RbZn4(BO3)3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

P2/c (13), Phonon, and RbZn4(BO3)3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) / materials id 771238

Description/Abstract:

Ab-initio phonon calculation for Y2TeO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2/c (13), Phonon, and Y2TeO6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) / materials id 867129

Description/Abstract:

Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

P2/c (13), Phonon, and RbZnH2Se2ClO6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiAuF4 / P2/c (13) / materials id 554442

Description/Abstract:

Ab-initio phonon calculation for LiAuF4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

LiAuF4, P2/c (13), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SnGeO3 / P2/c (13) / materials id 769144

Description/Abstract:

Ab-initio phonon calculation for SnGeO3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2/c (13), Phonon, and SnGeO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li4Zr3O8 / P2/c (13) / materials id 765573

Description/Abstract:

Ab-initio phonon calculation for Li4Zr3O8 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Li4Zr3O8, P2/c (13), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset83

Collection

MDR phonon calculation database[remove]83

Keyword

P2/c (13)[remove]83
Phonon83
Al2O31
AlP3(HO2)61
AlTlBr41
more Keywords »

Publisher

NIMS83

Resource type

Dataset83

Visibility

open83

Rights Statement Sim

Creative Commons BY Attribution 4.0 International83

Data origin

simulation83

Author

Atsushi Togo83

Funder

MEXT83

Software

VASP83
phonopy83
spglib83

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