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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword P4/nmm (129) Remove constraint Keyword: P4/nmm (129)

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Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742

Description/Abstract:

Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

BaAgTeF, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li2TiSiO5 / P4/nmm (129) / materials id 6332

Description/Abstract:

Ab-initio phonon calculation for Li2TiSiO5 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Li2TiSiO5, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SnClF / P4/nmm (129) / materials id 989192

Description/Abstract:

Ab-initio phonon calculation for SnClF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P4/nmm (129), Phonon, and SnClF

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na2TiGeO5 / P4/nmm (129) / materials id 6228

Description/Abstract:

Ab-initio phonon calculation for Na2TiGeO5 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Na2TiGeO5, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KAgSe / P4/nmm (129) / materials id 16236

Description/Abstract:

Ab-initio phonon calculation for KAgSe / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

KAgSe, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for NdBrO / P4/nmm (129) / materials id 23068

Description/Abstract:

Ab-initio phonon calculation for NdBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

NdBrO, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for PbO / P4/nmm (129) / materials id 19921

Description/Abstract:

Ab-initio phonon calculation for PbO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P4/nmm (129), PbO, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiBeP / P4/nmm (129) / materials id 9915

Description/Abstract:

Ab-initio phonon calculation for LiBeP / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

LiBeP, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsLiBr2 / P4/nmm (129) / materials id 23057

Description/Abstract:

Ab-initio phonon calculation for CsLiBr2 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

CsLiBr2, P4/nmm (129), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SrClF / P4/nmm (129) / materials id 22957

Description/Abstract:

Ab-initio phonon calculation for SrClF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P4/nmm (129), Phonon, and SrClF

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset151

Collection

MDR phonon calculation database151

Keyword

P4/nmm (129)[remove]151
Phonon151
BiOF2
AgI1
AlF31
more Keywords »

Publisher

NIMS151

Resource type

Dataset151

Visibility

open151

Rights Statement Sim

Creative Commons BY Attribution 4.0 International151

Data origin

simulation151

Author

Atsushi Togo151

Funder

MEXT151

Software

VASP151
phonopy[remove]151
spglib151

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