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Filtering by: Keyword Pna2_1 (33) Remove constraint Keyword: Pna2_1 (33) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177

Description/Abstract:

Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

K2ZnCl4, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) / materials id 753520

Description/Abstract:

Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Li3BiS3, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) / materials id 17885

Description/Abstract:

Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ba2Ge2Te5, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for NbSbO4 / Pna2_1 (33) / materials id 3491

Description/Abstract:

Ab-initio phonon calculation for NbSbO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

NbSbO4, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) / materials id 22694

Description/Abstract:

Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

LiPPbO4, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li3GaGeO5 / Pna2_1 (33) / materials id 17685

Description/Abstract:

Ab-initio phonon calculation for Li3GaGeO5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Li3GaGeO5, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for TlSb3(AsS4)2 / Pna2_1 (33) / materials id 558174

Description/Abstract:

Ab-initio phonon calculation for TlSb3(AsS4)2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Phonon, Pna2_1 (33), and TlSb3(AsS4)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K5In3(SiO3)7 / Pna2_1 (33) / materials id 557237

Description/Abstract:

Ab-initio phonon calculation for K5In3(SiO3)7 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

K5In3(SiO3)7, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsNb(CuTe2)2 / Pna2_1 (33) / materials id 505321

Description/Abstract:

Ab-initio phonon calculation for CsNb(CuTe2)2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

CsNb(CuTe2)2, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiB3O5 / Pna2_1 (33) / materials id 3660

Description/Abstract:

Ab-initio phonon calculation for LiB3O5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

LiB3O5, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset128

Collection

MDR phonon calculation database[remove]128

Keyword

Phonon128
Pna2_1 (33)[remove]128
AlGaO32
K2ZnCl42
TeHO32
more Keywords »

Publisher

NIMS128

Resource type

Dataset128

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open128

Rights Statement Sim

Creative Commons BY Attribution 4.0 International128

Data origin

simulation128

Author

Atsushi Togo128

Funder

MEXT128

Software

VASP128
phonopy128
spglib128

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