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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword P6_3mc (186) Remove constraint Keyword: P6_3mc (186) Rights Statement Sim Creative Commons BY Attribution 4.0 International Remove constraint Rights Statement Sim: Creative Commons BY Attribution 4.0 International

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Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661

Description/Abstract:

Ab-initio phonon calculation for AlN / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

AlN, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346

Description/Abstract:

Ab-initio phonon calculation for CuI / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

CuI, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) / materials id 626161

Description/Abstract:

Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Al5HO8, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) / materials id 13002

Description/Abstract:

Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

K2SiF6, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CdS / P6_3mc (186) / materials id 672

Description/Abstract:

Ab-initio phonon calculation for CdS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

CdS, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiC / P6_3mc (186) / materials id 11714

Description/Abstract:

Ab-initio phonon calculation for SiC / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P6_3mc (186), Phonon, and SiC

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZnS / P6_3mc (186) / materials id 561196

Description/Abstract:

Ab-initio phonon calculation for ZnS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P6_3mc (186), Phonon, and ZnS

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Hg3AsSe4Br / P6_3mc (186) / materials id 567949

Description/Abstract:

Ab-initio phonon calculation for Hg3AsSe4Br / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Hg3AsSe4Br, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K6HgS4 / P6_3mc (186) / materials id 5114

Description/Abstract:

Ab-initio phonon calculation for K6HgS4 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

K6HgS4, P6_3mc (186), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for PbI2 / P6_3mc (186) / materials id 567542

Description/Abstract:

Ab-initio phonon calculation for PbI2 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

P6_3mc (186), PbI2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset115

Collection

MDR phonon calculation database115

Keyword

P6_3mc (186)[remove]115
Phonon115
ZnS7
SiC5
CdI24
more Keywords »

Publisher

NIMS115

Resource type

Dataset115

Visibility

open115

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]115

Data origin

simulation[remove]115

Author

Atsushi Togo115

Funder

MEXT115

Software

VASP115
phonopy115
spglib115

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