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Ab-initio phonon calculation for LiTl2InCl6 / Fm-3m (225) / materials id 989512
Description/Abstract:
Ab-initio phonon calculation for LiTl2InCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fm-3m (225)
,
LiTl2InCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2NaScF6 / Fm-3m (225) / materials id 6058
Description/Abstract:
Ab-initio phonon calculation for K2NaScF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2NaScF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrCl2 / Fm-3m (225) / materials id 23209
Description/Abstract:
Ab-initio phonon calculation for SrCl2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fm-3m (225)
,
Phonon
, and
SrCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2TaBiO6 / Fm-3m (225) / materials id 552200
Description/Abstract:
Ab-initio phonon calculation for Ba2TaBiO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2TaBiO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SnH8(NCl3)2 / Fm-3m (225) / materials id 23763
Description/Abstract:
Ab-initio phonon calculation for SnH8(NCl3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fm-3m (225)
,
Phonon
, and
SnH8(NCl3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2TeCl6 / Fm-3m (225) / materials id 569149
Description/Abstract:
Ab-initio phonon calculation for K2TeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2TeCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2LiAlH6 / Fm-3m (225) / materials id 644092
Description/Abstract:
Ab-initio phonon calculation for Na2LiAlH6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Na2LiAlH6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2SnBr6 / Fm-3m (225) / materials id 568333
Description/Abstract:
Ab-initio phonon calculation for K2SnBr6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2SnBr6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbBr / Fm-3m (225) / materials id 22867
Description/Abstract:
Ab-initio phonon calculation for RbBr / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
RbBr
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2TlInF6 / Fm-3m (225) / materials id 989532
Description/Abstract:
Ab-initio phonon calculation for Rb2TlInF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2TlInF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
332
Collection
MDR phonon calculation database
332
Keyword
Fm-3m (225)
[remove]
332
Phonon
332
SnH8(NCl3)2
2
AgBr
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NIMS
332
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332
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
332
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simulation
332
Author
Atsushi Togo
332
Funder
MEXT
332
Software
VASP
332
phonopy
332
spglib
332