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R3c (161)
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Ab-initio phonon calculation for NaNbO3 / R3c (161) / materials id 4514
Description/Abstract:
Ab-initio phonon calculation for NaNbO3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaNbO3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiNbO3 / R3c (161) / materials id 3731
Description/Abstract:
Ab-initio phonon calculation for LiNbO3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiNbO3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Si19Te8 / R3c (161) / materials id 31135
Description/Abstract:
Ab-initio phonon calculation for Si19Te8 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R3c (161)
, and
Si19Te8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnSnO3 / R3c (161) / materials id 13334
Description/Abstract:
Ab-initio phonon calculation for ZnSnO3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R3c (161)
, and
ZnSnO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TmBiO3 / R3c (161) / materials id 754323
Description/Abstract:
Ab-initio phonon calculation for TmBiO3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R3c (161)
, and
TmBiO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na4Zr2(SiO4)3 / R3c (161) / materials id 555472
Description/Abstract:
Ab-initio phonon calculation for Na4Zr2(SiO4)3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na4Zr2(SiO4)3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ag3SbS3 / R3c (161) / materials id 4515
Description/Abstract:
Ab-initio phonon calculation for Ag3SbS3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ag3SbS3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaCdF3 / R3c (161) / materials id 4360
Description/Abstract:
Ab-initio phonon calculation for NaCdF3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaCdF3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Na4Al3Si3HO13 / R3c (161) / materials id 39140
Description/Abstract:
Ab-initio phonon calculation for Na4Al3Si3HO13 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na4Al3Si3HO13
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for KGaBr4 / R3c (161) / materials id 28680
Description/Abstract:
Ab-initio phonon calculation for KGaBr4 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KGaBr4
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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39
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MDR phonon calculation database
39
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Phonon
39
R3c (161)
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39
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39
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Atsushi Togo
39
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MEXT
39
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VASP
39
phonopy
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spglib
39