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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword I-42d (122) Remove constraint Keyword: I-42d (122) 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 YbTb2S4 / I-42d (122) / materials id 673682

Description/Abstract:

Ab-initio phonon calculation for YbTb2S4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I-42d (122), Phonon, and YbTb2S4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Yb(DyS2)2 / I-42d (122) / materials id 676154

Description/Abstract:

Ab-initio phonon calculation for Yb(DyS2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

I-42d (122), Phonon, and Yb(DyS2)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KP(HO2)2 / I-42d (122) / materials id 696752

Description/Abstract:

Ab-initio phonon calculation for KP(HO2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I-42d (122), KP(HO2)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La2PbSe4 / I-42d (122) / materials id 33406

Description/Abstract:

Ab-initio phonon calculation for La2PbSe4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I-42d (122), La2PbSe4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tb2CaS4 / I-42d (122) / materials id 38327

Description/Abstract:

Ab-initio phonon calculation for Tb2CaS4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I-42d (122), Phonon, and Tb2CaS4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for GaCuS2 / I-42d (122) / materials id 5238

Description/Abstract:

Ab-initio phonon calculation for GaCuS2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

GaCuS2, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tb2S3 / I-42d (122) / materials id 673644

Description/Abstract:

Ab-initio phonon calculation for Tb2S3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-42d (122), Phonon, and Tb2S3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiPN2 / I-42d (122) / materials id 3524

Description/Abstract:

Ab-initio phonon calculation for LiPN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-42d (122), LiPN2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La2Se3 / I-42d (122) / materials id 32798

Description/Abstract:

Ab-initio phonon calculation for La2Se3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I-42d (122), La2Se3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Sm2S3 / I-42d (122) / materials id 32645

Description/Abstract:

Ab-initio phonon calculation for Sm2S3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-42d (122), Phonon, and Sm2S3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset115

Collection

MDR phonon calculation database115

Keyword

I-42d (122)[remove]115
Phonon115
AlAgS21
AlAgSe21
AlAgTe21
more Keywords »

Publisher

NIMS115

Resource type

Dataset115

Visibility

open115

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]115

Data origin

simulation115

Author

Atsushi Togo115

Funder

MEXT115

Software

VASP115
phonopy[remove]115
spglib115

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