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Filtering by: Funder MEXT Remove constraint Funder: MEXT Keyword R-3 (148) Remove constraint Keyword: R-3 (148) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412

Description/Abstract:

Ab-initio phonon calculation for In(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

In(HO)3, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659

Description/Abstract:

Ab-initio phonon calculation for HgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

HgPbF6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221

Description/Abstract:

Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ca2Hf7O16, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836

Description/Abstract:

Ab-initio phonon calculation for K2In12Se19 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

K2In12Se19, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) / materials id 754266

Description/Abstract:

Ab-initio phonon calculation for Li8TiS6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Li8TiS6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) / materials id 558428

Description/Abstract:

Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Ba9Sc2(SiO4)6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KPF6 / R-3 (148) / materials id 4608

Description/Abstract:

Ab-initio phonon calculation for KPF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

KPF6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La3ScO6 / R-3 (148) / materials id 752569

Description/Abstract:

Ab-initio phonon calculation for La3ScO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

La3ScO6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li8SnO6 / R-3 (148) / materials id 4527

Description/Abstract:

Ab-initio phonon calculation for Li8SnO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Li8SnO6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) / materials id 541451

Description/Abstract:

Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ga2(SO4)3, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset196

Collection

MDR phonon calculation database[remove]196

Keyword

Phonon196
R-3 (148)[remove]196
In(HO)32
K2In12Se192
Lu(HO)32
more Keywords »

Publisher

NIMS196

Resource type

Dataset196

Visibility

open196

Rights Statement Sim

Creative Commons BY Attribution 4.0 International196

Data origin

simulation196

Author

Atsushi Togo196

Funder

MEXT[remove]196

Software

VASP196
phonopy196
spglib196

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