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Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Keyword P6_3/mmc (194) Remove constraint Keyword: P6_3/mmc (194) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) / materials id 541707

Description/Abstract:

Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

K6Na3AlSb4, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) / materials id 29763

Description/Abstract:

Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P6_3/mmc (194), Phonon, and RbMnBr3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) / materials id 559928

Description/Abstract:

Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P6_3/mmc (194), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for BN / P6_3/mmc (194) / materials id 7991

Description/Abstract:

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

Keyword:

BN, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for YScO3 / P6_3/mmc (194) / materials id 768479

Description/Abstract:

Ab-initio phonon calculation for YScO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P6_3/mmc (194), Phonon, and YScO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) / materials id 559740

Description/Abstract:

Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P6_3/mmc (194), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for CsHoO2 / P6_3/mmc (194) / materials id 754154

Description/Abstract:

Ab-initio phonon calculation for CsHoO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

CsHoO2, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) / materials id 541393

Description/Abstract:

Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

K3NaRe2O9, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for CsYO2 / P6_3/mmc (194) / materials id 541044

Description/Abstract:

Ab-initio phonon calculation for CsYO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

CsYO2, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for AlAgO2 / P6_3/mmc (194) / materials id 9631

Description/Abstract:

Ab-initio phonon calculation for AlAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

AlAgO2, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023

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Type of work

Dataset[remove]176

Collection

MDR phonon calculation database[remove]176

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
phonopy176
spglib176

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