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Ba2YTaO6
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Ab-initio phonon calculation for Ba2YTaO6 / I4/m (87) / materials id 12385
Description/Abstract:
Ab-initio phonon calculation for Ba2YTaO6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2YTaO6
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2YTaO6 / Fm-3m (225) / materials id 6613
Description/Abstract:
Ab-initio phonon calculation for Ba2YTaO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2YTaO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
Ba2YTaO6
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2
Phonon
2
Fm-3m (225)
1
I4/m (87)
1
Publisher
NIMS
2
Resource type
Dataset
2
Visibility
open
2
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
2
Data origin
simulation
2
Author
Atsushi Togo
2
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2