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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Cmce (64) Remove constraint Keyword: Cmce (64)

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Ab-initio phonon calculation for K3Na2SnP3 / Cmce (64) / materials id 16847

Description/Abstract:

Ab-initio phonon calculation for K3Na2SnP3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmce (64), K3Na2SnP3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) / materials id 558894

Description/Abstract:

Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ba4Ti2PtO10, Cmce (64), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) / materials id 29794

Description/Abstract:

Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba2PdF6, Cmce (64), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) / materials id 559923

Description/Abstract:

Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Cmce (64), Nb(PS4)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na3CuO3 / Cmce (64) / materials id 28556

Description/Abstract:

Ab-initio phonon calculation for Na3CuO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Cmce (64), Na3CuO3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for MoBr2 / Cmce (64) / materials id 29555

Description/Abstract:

Ab-initio phonon calculation for MoBr2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Cmce (64), MoBr2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 768510

Description/Abstract:

Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba4Sn3O10, Cmce (64), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) / materials id 3582

Description/Abstract:

Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Cmce (64), Mg(BC)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na2PSe3 / Cmce (64) / materials id 567228

Description/Abstract:

Ab-initio phonon calculation for Na2PSe3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Cmce (64), Na2PSe3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) / materials id 5403

Description/Abstract:

Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Cmce (64), Phonon, and Rb2TiO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset91

Collection

MDR phonon calculation database91

Keyword

Cmce (64)[remove]91
Phonon91
Ba4Sn3O102
Ag2PdCl41
Ba(BSe3)21
more Keywords »

Publisher

NIMS91

Resource type

Dataset91

Visibility

open91

Rights Statement Sim

Creative Commons BY Attribution 4.0 International91

Data origin

simulation[remove]91

Author

Atsushi Togo91

Funder

MEXT91

Software

VASP91
phonopy91
spglib91

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