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Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Keyword P6_3/m (176) Remove constraint Keyword: P6_3/m (176) 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 KNa22C2S9ClO42 / P6_3/m (176) / materials id 23660

Description/Abstract:

Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, ...

Keyword:

KNa22C2S9ClO42, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) / materials id 861914

Description/Abstract:

Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Ba3Co(CN)3, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba3Lu(BO2)9 / P6_3/m (176) / materials id 561253

Description/Abstract:

Ab-initio phonon calculation for Ba3Lu(BO2)9 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Ba3Lu(BO2)9, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ga2P3(HO3)3 / P6_3/m (176) / materials id 24563

Description/Abstract:

Ab-initio phonon calculation for Ga2P3(HO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Ga2P3(HO3)3, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) / materials id 756888

Description/Abstract:

Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

La2(SiO3)3, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Nd(HO)3 / P6_3/m (176) / materials id 625397

Description/Abstract:

Ab-initio phonon calculation for Nd(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Nd(HO)3, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2Ti(SiO3)3 / P6_3/m (176) / materials id 6810

Description/Abstract:

Ab-initio phonon calculation for K2Ti(SiO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

K2Ti(SiO3)3, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for PrCl3 / P6_3/m (176) / materials id 23211

Description/Abstract:

Ab-initio phonon calculation for PrCl3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P6_3/m (176), Phonon, and PrCl3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Ba(BiS2)2 / P6_3/m (176) / materials id 28057

Description/Abstract:

Ab-initio phonon calculation for Ba(BiS2)2 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ba(BiS2)2, P6_3/m (176), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Tl3BO3 / P6_3/m (176) / materials id 4584

Description/Abstract:

Ab-initio phonon calculation for Tl3BO3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P6_3/m (176), Phonon, and Tl3BO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023

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Type of work

Dataset[remove]89

Collection

MDR phonon calculation database89

Keyword

P6_3/m (176)[remove]89
Phonon89
Tb(HO)32
Al2P3(HO3)31
Al6B5(O5F)31
more Keywords »

Publisher

NIMS89

Resource type

Dataset89

Visibility

open89

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]89

Data origin

simulation89

Author

Atsushi Togo89

Funder

MEXT89

Software

VASP89
phonopy89
spglib89

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