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Filtering by: Author Atsushi Togo Remove constraint Author: Atsushi Togo Data origin simulation Remove constraint Data origin: simulation Keyword Pnma (62) Remove constraint Keyword: Pnma (62) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) / materials id 27425

Description/Abstract:

Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Phonon, Pnma (62), and Sr(HO)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285

Description/Abstract:

Ab-initio phonon calculation for SrSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Phonon, Pnma (62), and SrSO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HPbBrO / Pnma (62) / materials id 643727

Description/Abstract:

Ab-initio phonon calculation for HPbBrO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

HPbBrO, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400

Description/Abstract:

Ab-initio phonon calculation for RbCdBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Phonon, Pnma (62), and RbCdBr3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for H2C / Pnma (62) / materials id 985782

Description/Abstract:

Ab-initio phonon calculation for H2C / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

H2C, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753360

Description/Abstract:

Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BiOF, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LaYO3 / Pnma (62) / materials id 10429

Description/Abstract:

Ab-initio phonon calculation for LaYO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

LaYO3, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) / materials id 4056

Description/Abstract:

Ab-initio phonon calculation for CaSc2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

CaSc2O4, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for DyHO2 / Pnma (62) / materials id 755659

Description/Abstract:

Ab-initio phonon calculation for DyHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

DyHO2, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224

Description/Abstract:

Ab-initio phonon calculation for HgO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

HgO, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023

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Type of work

Dataset839

Collection

MDR phonon calculation database[remove]839

Keyword

Phonon839
Pnma (62)[remove]839
Ba3(BrO)23
BiOF3
AlHO22
more Keywords »

Publisher

NIMS839

Resource type

Dataset839

Visibility

open839

Rights Statement Sim

Creative Commons BY Attribution 4.0 International839

Data origin

simulation[remove]839

Author

Atsushi Togo[remove]839

Funder

MEXT839

Software

VASP839
phonopy839
spglib839

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