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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword P6_3/mmc (194) Remove constraint Keyword: P6_3/mmc (194)

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Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282

Description/Abstract:

Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Ba2AlInO5, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029

Description/Abstract:

Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Cs3Sb2I9, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) / materials id 864617

Description/Abstract:

Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

NdI3, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451

Description/Abstract:

Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Cs3Cr2Br9, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for N2O5 / P6_3/mmc (194) / materials id 504769

Description/Abstract:

Ab-initio phonon calculation for N2O5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

N2O5, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for InSe / P6_3/mmc (194) / materials id 20485

Description/Abstract:

Ab-initio phonon calculation for InSe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

InSe, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SrH2 / P6_3/mmc (194) / materials id 23759

Description/Abstract:

Ab-initio phonon calculation for SrH2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P6_3/mmc (194), Phonon, and SrH2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) / materials id 6112

Description/Abstract:

Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

K6Na3GaSb4, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cs6K3AlSb4 / P6_3/mmc (194) / materials id 17120

Description/Abstract:

Ab-initio phonon calculation for Cs6K3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

Cs6K3AlSb4, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsMnBr3 / P6_3/mmc (194) / materials id 23048

Description/Abstract:

Ab-initio phonon calculation for CsMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

CsMnBr3, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Limit your search

Type of work

Dataset176

Collection

MDR phonon calculation database176

Keyword

P6_3/mmc (194)[remove]176
Phonon176
BN3
SiO23
NaAl11O172
more Keywords »

Publisher

NIMS176

Resource type

Dataset176

Visibility

open176

Rights Statement Sim

Creative Commons BY Attribution 4.0 International176

Data origin

simulation176

Author

Atsushi Togo176

Funder

MEXT176

Software

VASP176
phonopy[remove]176
spglib176

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