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Filtering by: Keyword Phonon Remove constraint Keyword: Phonon Keyword R-3c (167) Remove constraint Keyword: R-3c (167) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233

Description/Abstract:

Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

NaSr3RuO6, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) / materials id 758868

Description/Abstract:

Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

MgBP(H3O4)2, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li4H6Os / R-3c (167) / materials id 642996

Description/Abstract:

Ab-initio phonon calculation for Li4H6Os / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Li4H6Os, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Rb3CO3F / R-3c (167) / materials id 8774

Description/Abstract:

Ab-initio phonon calculation for Rb3CO3F / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Phonon, R-3c (167), and Rb3CO3F

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) / materials id 541282

Description/Abstract:

Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

KZr2(AsO4)3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) / materials id 541238

Description/Abstract:

Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

KTi2(PO4)3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Rh2O3 / R-3c (167) / materials id 542734

Description/Abstract:

Ab-initio phonon calculation for Rh2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Phonon, R-3c (167), and Rh2O3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li3CuS2 / R-3c (167) / materials id 867700

Description/Abstract:

Ab-initio phonon calculation for Li3CuS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Li3CuS2, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlF3 / R-3c (167) / materials id 468

Description/Abstract:

Ab-initio phonon calculation for AlF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

AlF3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) / materials id 10299

Description/Abstract:

Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Ca4PdO6, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset152

Collection

MDR phonon calculation database[remove]152

Keyword

Phonon[remove]152
R-3c (167)[remove]152
Ag3BO31
AgHg3SbO61
Al2O31
more Keywords »

Publisher

NIMS152

Resource type

Dataset152

Visibility

open152

Rights Statement Sim

Creative Commons BY Attribution 4.0 International152

Data origin

simulation152

Author

Atsushi Togo152

Funder

MEXT152

Software

VASP152
phonopy152
spglib152

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