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Filtering by: Keyword I-4 (82) Remove constraint Keyword: I-4 (82) 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 Ga2HgS4 / I-4 (82) / materials id 4809

Description/Abstract:

Ab-initio phonon calculation for Ga2HgS4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Ga2HgS4, I-4 (82), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for InPS4 / I-4 (82) / materials id 20790

Description/Abstract:

Ab-initio phonon calculation for InPS4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

I-4 (82), InPS4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2Sr(PO3)4 / I-4 (82) / materials id 558990

Description/Abstract:

Ab-initio phonon calculation for K2Sr(PO3)4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I-4 (82), K2Sr(PO3)4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlBiTeCl4 / I-4 (82) / materials id 628665

Description/Abstract:

Ab-initio phonon calculation for AlBiTeCl4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

AlBiTeCl4, I-4 (82), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Zn(InSe2)2 / I-4 (82) / materials id 22607

Description/Abstract:

Ab-initio phonon calculation for Zn(InSe2)2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I-4 (82), Phonon, and Zn(InSe2)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Nd5AgSe8 / I-4 (82) / materials id 36592

Description/Abstract:

Ab-initio phonon calculation for Nd5AgSe8 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-4 (82), Nd5AgSe8, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for In2HgSe4 / I-4 (82) / materials id 20731

Description/Abstract:

Ab-initio phonon calculation for In2HgSe4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-4 (82), In2HgSe4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsAs4F13 / I-4 (82) / materials id 30927

Description/Abstract:

Ab-initio phonon calculation for CsAs4F13 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

CsAs4F13, I-4 (82), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cd(GaSe2)2 / I-4 (82) / materials id 3772

Description/Abstract:

Ab-initio phonon calculation for Cd(GaSe2)2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cd(GaSe2)2, I-4 (82), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cd(InTe2)2 / I-4 (82) / materials id 21374

Description/Abstract:

Ab-initio phonon calculation for Cd(InTe2)2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cd(InTe2)2, I-4 (82), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset70

Collection

MDR phonon calculation database70

Keyword

I-4 (82)[remove]70
Phonon70
Ag2HgI41
Al2CdS41
Al2CdSe41
more Keywords »

Publisher

NIMS70

Resource type

Dataset70

Visibility

open70

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]70

Data origin

simulation70

Author

Atsushi Togo70

Funder

MEXT70

Software

VASP70
phonopy70
spglib70

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