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Filtering by: Keyword Pbca (61) Remove constraint Keyword: Pbca (61) Keyword Phonon Remove constraint Keyword: Phonon Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338

Description/Abstract:

Ab-initio phonon calculation for ZnSeO3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Pbca (61), Phonon, and ZnSeO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121

Description/Abstract:

Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Na2Hg3S4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262

Description/Abstract:

Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

K5YO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369

Description/Abstract:

Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ca2Zr5Ti2O16, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na5TlO4 / Pbca (61) / materials id 7652

Description/Abstract:

Ab-initio phonon calculation for Na5TlO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Na5TlO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl2PS3 / Pbca (61) / materials id 28217

Description/Abstract:

Ab-initio phonon calculation for Tl2PS3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Pbca (61), Phonon, and Tl2PS3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) / materials id 559109

Description/Abstract:

Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

ErGeBiO5, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) / materials id 542678

Description/Abstract:

Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

AlAs(H2O3)2, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na5GaO4 / Pbca (61) / materials id 7656

Description/Abstract:

Ab-initio phonon calculation for Na5GaO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Na5GaO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) / materials id 31287

Description/Abstract:

Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Pbca (61), Phonon, and Tl3PdBr5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset128

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MDR phonon calculation database[remove]128

Keyword

Pbca (61)[remove]128
Phonon[remove]128
HfO22
K5YO42
Li5GaO42
more Keywords »

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NIMS128

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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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