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Atsushi Togo
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Ba2PrSbO6
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Ab-initio phonon calculation for Ba2PrSbO6 / R-3 (148) / materials id 6692
Description/Abstract:
Ab-initio phonon calculation for Ba2PrSbO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2PrSbO6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2PrSbO6 / Fm-3m (225) / materials id 10731
Description/Abstract:
Ab-initio phonon calculation for Ba2PrSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2PrSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
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Keyword
Ba2PrSbO6
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Phonon
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Fm-3m (225)
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R-3 (148)
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NIMS
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Creative Commons BY Attribution 4.0 International
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simulation
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Author
Atsushi Togo
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MEXT
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Software
VASP
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phonopy
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spglib
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