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Filtering by: Keyword P4/ncc (130) Remove constraint Keyword: P4/ncc (130) Resource type Dataset Remove constraint Resource type: Dataset

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Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) / materials id 5487

Description/Abstract:

Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P4/ncc (130), Phonon, and Sr3SiO5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Tl4SnS3 / P4/ncc (130) / materials id 9622

Description/Abstract:

Ab-initio phonon calculation for Tl4SnS3 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P4/ncc (130), Phonon, and Tl4SnS3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KB3(HO3)2 / P4/ncc (130) / materials id 605642

Description/Abstract:

Ab-initio phonon calculation for KB3(HO3)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

KB3(HO3)2, P4/ncc (130), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for La5Sb4(O4F)3 / P4/ncc (130) / materials id 559298

Description/Abstract:

Ab-initio phonon calculation for La5Sb4(O4F)3 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

La5Sb4(O4F)3, P4/ncc (130), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for Tl5Se2Cl / P4/ncc (130) / materials id 28920

Description/Abstract:

Ab-initio phonon calculation for Tl5Se2Cl / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

P4/ncc (130), Phonon, and Tl5Se2Cl

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for K3IO5 / P4/ncc (130) / materials id 540618

Description/Abstract:

Ab-initio phonon calculation for K3IO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

K3IO5, P4/ncc (130), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for K5H(CN2)2 / P4/ncc (130) / materials id 777297

Description/Abstract:

Ab-initio phonon calculation for K5H(CN2)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

K5H(CN2)2, P4/ncc (130), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Rb3MgH5 / P4/ncc (130) / materials id 23948

Description/Abstract:

Ab-initio phonon calculation for Rb3MgH5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P4/ncc (130), Phonon, and Rb3MgH5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Sr(H9O5)2 / P4/ncc (130) / materials id 24312

Description/Abstract:

Ab-initio phonon calculation for Sr(H9O5)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P4/ncc (130), Phonon, and Sr(H9O5)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for K2Y4Sn2S11 / P4/ncc (130) / materials id 560785

Description/Abstract:

Ab-initio phonon calculation for K2Y4Sn2S11 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

K2Y4Sn2S11, P4/ncc (130), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

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Limit your search

Type of work

Dataset13

Collection

MDR phonon calculation database13

Keyword

P4/ncc (130)[remove]13
Phonon13
Ba3GeO51
Cs3MgH51
K2Y4Sn2S111
more Keywords »

Publisher

NIMS13

Resource type

Dataset[remove]13

Visibility

open13

Rights Statement Sim

Creative Commons BY Attribution 4.0 International13

Data origin

simulation13

Author

Atsushi Togo13

Funder

MEXT13

Software

VASP13
phonopy13
spglib13

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