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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Pc (7) Remove constraint Keyword: Pc (7) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) / materials id 6391

Description/Abstract:

Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Na2ZnSiO4, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ti3(BiO3)4 / Pc (7) / materials id 723064

Description/Abstract:

Ab-initio phonon calculation for Ti3(BiO3)4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Pc (7), Phonon, and Ti3(BiO3)4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for In2(Se2O5)3 / Pc (7) / materials id 30325

Description/Abstract:

Ab-initio phonon calculation for In2(Se2O5)3 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

In2(Se2O5)3, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KAuCl4 / Pc (7) / materials id 27181

Description/Abstract:

Ab-initio phonon calculation for KAuCl4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

KAuCl4, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li2ZnGeO4 / Pc (7) / materials id 8184

Description/Abstract:

Ab-initio phonon calculation for Li2ZnGeO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Li2ZnGeO4, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LaTa2NO5 / Pc (7) / materials id 777773

Description/Abstract:

Ab-initio phonon calculation for LaTa2NO5 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

LaTa2NO5, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2SrCl4 / Pc (7) / materials id 674465

Description/Abstract:

Ab-initio phonon calculation for K2SrCl4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

K2SrCl4, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba3YI9 / Pc (7) / materials id 772018

Description/Abstract:

Ab-initio phonon calculation for Ba3YI9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Ba3YI9, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for BaCa2I6 / Pc (7) / materials id 753460

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BaCa2I6, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Na2ZnGeO4 / Pc (7) / materials id 6402

Description/Abstract:

Ab-initio phonon calculation for Na2ZnGeO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Na2ZnGeO4, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023

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Type of work

Dataset51

Collection

MDR phonon calculation database[remove]51

Keyword

Pc (7)[remove]51
Phonon51
Al2CdCl81
AlSCl71
AlSeBr71
more Keywords »

Publisher

NIMS51

Resource type

Dataset51

Visibility

open51

Rights Statement Sim

Creative Commons BY Attribution 4.0 International51

Data origin

simulation[remove]51

Author

Atsushi Togo51

Funder

MEXT51

Software

VASP51
phonopy51
spglib51

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