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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword P2_1/m (11) Remove constraint Keyword: P2_1/m (11) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for AgBr / P2_1/m (11) / materials id 570301

Description/Abstract:

Ab-initio phonon calculation for AgBr / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

AgBr, P2_1/m (11), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for YSeF / P2_1/m (11) / materials id 696195

Description/Abstract:

Ab-initio phonon calculation for YSeF / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2_1/m (11), Phonon, and YSeF

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) / materials id 13282

Description/Abstract:

Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P2_1/m (11), Phonon, and Sm(ErSe2)3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) / materials id 684679

Description/Abstract:

Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P2_1/m (11), Phonon, and Sb6O13

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KCuPdSe5 / P2_1/m (11) / materials id 11114

Description/Abstract:

Ab-initio phonon calculation for KCuPdSe5 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

KCuPdSe5, P2_1/m (11), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LaHO2 / P2_1/m (11) / materials id 626724

Description/Abstract:

Ab-initio phonon calculation for LaHO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

LaHO2, P2_1/m (11), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl3BSe3 / P2_1/m (11) / materials id 28490

Description/Abstract:

Ab-initio phonon calculation for Tl3BSe3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P2_1/m (11), Phonon, and Tl3BSe3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tb(HO)3 / P2_1/m (11) / materials id 625415

Description/Abstract:

Ab-initio phonon calculation for Tb(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P2_1/m (11), Phonon, and Tb(HO)3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) / materials id 579536

Description/Abstract:

Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

CsCu2ICl2, P2_1/m (11), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbHS / P2_1/m (11) / materials id 696804

Description/Abstract:

Ab-initio phonon calculation for RbHS / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2_1/m (11), Phonon, and RbHS

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset206

Collection

MDR phonon calculation database[remove]206

Keyword

P2_1/m (11)[remove]206
Phonon206
Er2S32
Nd(HO)32
SrLaI52
more Keywords »

Publisher

NIMS206

Resource type

Dataset206

Visibility

open206

Rights Statement Sim

Creative Commons BY Attribution 4.0 International206

Data origin

simulation[remove]206

Author

Atsushi Togo206

Funder

MEXT206

Software

VASP206
phonopy206
spglib206

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