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Filtering by: Funder MEXT Remove constraint Funder: MEXT Keyword P-4m2 (115) Remove constraint Keyword: P-4m2 (115) 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 SiO2 / P-4m2 (115) / materials id 600001

Description/Abstract:

Ab-initio phonon calculation for SiO2 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P-4m2 (115), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZnCdS2 / P-4m2 (115) / materials id 971712

Description/Abstract:

Ab-initio phonon calculation for ZnCdS2 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P-4m2 (115), Phonon, and ZnCdS2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Ca(AuF6)2 / P-4m2 (115) / materials id 28153

Description/Abstract:

Ab-initio phonon calculation for Ca(AuF6)2 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ca(AuF6)2, P-4m2 (115), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for K4Nb8Si(P2O17)2 / P-4m2 (115) / materials id 14873

Description/Abstract:

Ab-initio phonon calculation for K4Nb8Si(P2O17)2 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, ...

Keyword:

K4Nb8Si(P2O17)2, P-4m2 (115), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for CsLi2I3 / P-4m2 (115) / materials id 569055

Description/Abstract:

Ab-initio phonon calculation for CsLi2I3 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

CsLi2I3, P-4m2 (115), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for Nd2Th8O19 / P-4m2 (115) / materials id 676552

Description/Abstract:

Ab-initio phonon calculation for Nd2Th8O19 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Nd2Th8O19, P-4m2 (115), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Sm2Th8O19 / P-4m2 (115) / materials id 676629

Description/Abstract:

Ab-initio phonon calculation for Sm2Th8O19 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

P-4m2 (115), Phonon, and Sm2Th8O19

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for La2Th8O19 / P-4m2 (115) / materials id 675564

Description/Abstract:

Ab-initio phonon calculation for La2Th8O19 / P-4m2 (115) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

La2Th8O19, P-4m2 (115), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023

Limit your search

Type of work

Dataset8

Collection

MDR phonon calculation database8

Keyword

P-4m2 (115)[remove]8
Phonon8
Ca(AuF6)21
CsLi2I31
K4Nb8Si(P2O17)21
more Keywords »

Publisher

NIMS8

Resource type

Dataset8

Visibility

open8

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]8

Data origin

simulation8

Author

Atsushi Togo8

Funder

MEXT[remove]8

Software

VASP8
phonopy8
spglib8

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