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Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Keyword I-42d (122) Remove constraint Keyword: I-42d (122) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for AsH6NO4 / I-42d (122) / materials id 703470

Description/Abstract:

Ab-initio phonon calculation for AsH6NO4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

AsH6NO4, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Ba(LaS2)2 / I-42d (122) / materials id 33615

Description/Abstract:

Ab-initio phonon calculation for Ba(LaS2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ba(LaS2)2, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for ZnCN2 / I-42d (122) / materials id 29826

Description/Abstract:

Ab-initio phonon calculation for ZnCN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I-42d (122), Phonon, and ZnCN2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Sm2Se3 / I-42d (122) / materials id 32594

Description/Abstract:

Ab-initio phonon calculation for Sm2Se3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I-42d (122), Phonon, and Sm2Se3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Ca4Sb2S / I-42d (122) / materials id 35269

Description/Abstract:

Ab-initio phonon calculation for Ca4Sb2S / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ca4Sb2S, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for BeZnO2 / I-42d (122) / materials id 550433

Description/Abstract:

Ab-initio phonon calculation for BeZnO2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

BeZnO2, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for ZnSiP2 / I-42d (122) / materials id 4763

Description/Abstract:

Ab-initio phonon calculation for ZnSiP2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I-42d (122), Phonon, and ZnSiP2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for AlCuSe2 / I-42d (122) / materials id 8016

Description/Abstract:

Ab-initio phonon calculation for AlCuSe2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

AlCuSe2, I-42d (122), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Tl4Pd3Cl10 / I-42d (122) / materials id 574580

Description/Abstract:

Ab-initio phonon calculation for Tl4Pd3Cl10 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

I-42d (122), Phonon, and Tl4Pd3Cl10

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for LiAgF2 / I-42d (122) / materials id 758604

Description/Abstract:

Ab-initio phonon calculation for LiAgF2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I-42d (122), LiAgF2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

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Limit your search

Type of work

Dataset[remove]115

Collection

MDR phonon calculation database[remove]115

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 International115

Data origin

simulation115

Author

Atsushi Togo115

Funder

MEXT115

Software

VASP115
phonopy115
spglib115

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