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Filtering by: Keyword Ca4Ta2O9

Ab-initio phonon calculation for Ca4Ta2O9 / P-3c1 (165) / materials id 769307

Description/Abstract:

Ab-initio phonon calculation for Ca4Ta2O9 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Ca4Ta2O9, P-3c1 (165), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Ca4Ta2O9 / P2_1/c (14) / materials id 769317

Description/Abstract:

Ab-initio phonon calculation for Ca4Ta2O9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Ca4Ta2O9, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Ca4Ta2O9 / Pbcn (60) / materials id 769301

Description/Abstract:

Ab-initio phonon calculation for Ca4Ta2O9 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Ca4Ta2O9, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023