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Filtering by: Type of work Dataset Remove constraint Type of work: Dataset 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 AlH3 / R-3c (167) / materials id 23933

Description/Abstract:

Ab-initio phonon calculation for AlH3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

AlH3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552

Description/Abstract:

Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Phonon, R-3c (167), and TeO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) / materials id 4710

Description/Abstract:

Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Hg3(BO3)2, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Al2O3 / R-3c (167) / materials id 1143

Description/Abstract:

Ab-initio phonon calculation for Al2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Al2O3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for KRb3CdCl6 / R-3c (167) / materials id 570158

Description/Abstract:

Ab-initio phonon calculation for KRb3CdCl6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

KRb3CdCl6, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Na2Sb4O11 / R-3c (167) / materials id 780683

Description/Abstract:

Ab-initio phonon calculation for Na2Sb4O11 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Na2Sb4O11, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for Rb3Sc(HO)6 / R-3c (167) / materials id 541483

Description/Abstract:

Ab-initio phonon calculation for Rb3Sc(HO)6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Phonon, R-3c (167), and Rb3Sc(HO)6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for NaZr2(PO4)3 / R-3c (167) / materials id 6475

Description/Abstract:

Ab-initio phonon calculation for NaZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

NaZr2(PO4)3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for K3AuSe2 / R-3c (167) / materials id 15571

Description/Abstract:

Ab-initio phonon calculation for K3AuSe2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

K3AuSe2, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for LaGaO3 / R-3c (167) / materials id 3336

Description/Abstract:

Ab-initio phonon calculation for LaGaO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

LaGaO3, Phonon, and R-3c (167)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023

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Type of work

Dataset[remove]152

Collection

MDR phonon calculation database[remove]152

Keyword

Phonon152
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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