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Filtering by: Keyword P4_2/ncm (138) Remove constraint Keyword: P4_2/ncm (138) Publisher NIMS Remove constraint Publisher: NIMS Resource type Dataset Remove constraint Resource type: Dataset 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 ZnPb2F6 / P4_2/ncm (138) / materials id 20006

Description/Abstract:

Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P4_2/ncm (138), Phonon, and ZnPb2F6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Tb2Se2O7 / P4_2/ncm (138) / materials id 30313

Description/Abstract:

Ab-initio phonon calculation for Tb2Se2O7 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

P4_2/ncm (138), Phonon, and Tb2Se2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for Zr(Se2Cl3)2 / P4_2/ncm (138) / materials id 619928

Description/Abstract:

Ab-initio phonon calculation for Zr(Se2Cl3)2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, a...

Keyword:

P4_2/ncm (138), Phonon, and Zr(Se2Cl3)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Sr2SnO4 / P4_2/ncm (138) / materials id 4287

Description/Abstract:

Ab-initio phonon calculation for Sr2SnO4 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P4_2/ncm (138), Phonon, and Sr2SnO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) / materials id 29420

Description/Abstract:

Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, a...

Keyword:

Hf(Se2Cl3)2, P4_2/ncm (138), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Sr2HfO4 / P4_2/ncm (138) / materials id 754761

Description/Abstract:

Ab-initio phonon calculation for Sr2HfO4 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P4_2/ncm (138), Phonon, and Sr2HfO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for AuBr / P4_2/ncm (138) / materials id 505366

Description/Abstract:

Ab-initio phonon calculation for AuBr / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

AuBr, P4_2/ncm (138), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for SiO2 / P4_2/ncm (138) / materials id 600109

Description/Abstract:

Ab-initio phonon calculation for SiO2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P4_2/ncm (138), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

Limit your search

Type of work

Dataset8

Collection

MDR phonon calculation database8

Keyword

P4_2/ncm (138)[remove]8
Phonon8
AuBr1
Hf(Se2Cl3)21
SiO21
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Publisher

NIMS[remove]8

Resource type

Dataset[remove]8

Visibility

open8

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]8

Data origin

simulation8

Author

Atsushi Togo8

Funder

MEXT8

Software

VASP8
phonopy8
spglib8

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