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Filtering by: Software spglib Remove constraint Software: spglib Keyword I4_1/amd (141) Remove constraint Keyword: I4_1/amd (141)

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Ab-initio phonon calculation for LiTlO2 / I4_1/amd (141) / materials id 8179

Description/Abstract:

Ab-initio phonon calculation for LiTlO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

I4_1/amd (141), LiTlO2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li2U3P2O15 / I4_1/amd (141) / materials id 559539

Description/Abstract:

Ab-initio phonon calculation for Li2U3P2O15 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

I4_1/amd (141), Li2U3P2O15, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiO2 / I4_1/amd (141) / materials id 553993

Description/Abstract:

Ab-initio phonon calculation for SiO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4_1/amd (141), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiNdSe2 / I4_1/amd (141) / materials id 37605

Description/Abstract:

Ab-initio phonon calculation for LiNdSe2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

I4_1/amd (141), LiNdSe2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ThCl4 / I4_1/amd (141) / materials id 23215

Description/Abstract:

Ab-initio phonon calculation for ThCl4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4_1/amd (141), Phonon, and ThCl4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for YPO4 / I4_1/amd (141) / materials id 5132

Description/Abstract:

Ab-initio phonon calculation for YPO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4_1/amd (141), Phonon, and YPO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ThBr4 / I4_1/amd (141) / materials id 23160

Description/Abstract:

Ab-initio phonon calculation for ThBr4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4_1/amd (141), Phonon, and ThBr4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Mg2NF / I4_1/amd (141) / materials id 7589

Description/Abstract:

Ab-initio phonon calculation for Mg2NF / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4_1/amd (141), Mg2NF, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) / materials id 684638

Description/Abstract:

Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Al2S3, I4_1/amd (141), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) / materials id 33667

Description/Abstract:

Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

I4_1/amd (141), LiDyS2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset107

Collection

MDR phonon calculation database107

Keyword

I4_1/amd (141)[remove]107
Phonon107
SiO26
Al2S31
Al2Se31
more Keywords »

Publisher

NIMS107

Resource type

Dataset107

Visibility

open107

Rights Statement Sim

Creative Commons BY Attribution 4.0 International107

Data origin

simulation107

Author

Atsushi Togo107

Funder

MEXT107

Software

VASP107
phonopy107
spglib[remove]107

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