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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword F-43m (216) Remove constraint Keyword: F-43m (216)

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Ab-initio phonon calculation for TiCoSb / F-43m (216) / materials id 5967

Description/Abstract:

Ab-initio phonon calculation for TiCoSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

F-43m (216), Phonon, and TiCoSb

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca12Be17O29 / F-43m (216) / materials id 27407

Description/Abstract:

Ab-initio phonon calculation for Ca12Be17O29 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Ca12Be17O29, F-43m (216), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlPO4 / F-43m (216) / materials id 37990

Description/Abstract:

Ab-initio phonon calculation for AlPO4 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

AlPO4, F-43m (216), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ThSnPt / F-43m (216) / materials id 19886

Description/Abstract:

Ab-initio phonon calculation for ThSnPt / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

F-43m (216), Phonon, and ThSnPt

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KClO4 / F-43m (216) / materials id 546633

Description/Abstract:

Ab-initio phonon calculation for KClO4 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

F-43m (216), KClO4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for TiSiPt / F-43m (216) / materials id 961706

Description/Abstract:

Ab-initio phonon calculation for TiSiPt / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

F-43m (216), Phonon, and TiSiPt

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for MgSe / F-43m (216) / materials id 13031

Description/Abstract:

Ab-initio phonon calculation for MgSe / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

F-43m (216), MgSe, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaLiLaTeO6 / F-43m (216) / materials id 40189

Description/Abstract:

Ab-initio phonon calculation for BaLiLaTeO6 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

BaLiLaTeO6, F-43m (216), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for GaP / F-43m (216) / materials id 2490

Description/Abstract:

Ab-initio phonon calculation for GaP / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

F-43m (216), GaP, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZnS / F-43m (216) / materials id 10695

Description/Abstract:

Ab-initio phonon calculation for ZnS / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

F-43m (216), Phonon, and ZnS

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset73

Collection

MDR phonon calculation database73

Keyword

F-43m (216)[remove]73
Phonon73
AgBr1
AgI1
Al13Si5H18ClO381
more Keywords »

Publisher

NIMS73

Resource type

Dataset73

Visibility

open73

Rights Statement Sim

Creative Commons BY Attribution 4.0 International73

Data origin

simulation[remove]73

Author

Atsushi Togo73

Funder

MEXT73

Software

VASP73
phonopy73
spglib73

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