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Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) / materials id 6169
Description/Abstract:
Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba3Ta6(Si2O13)2
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaSrAs / P-62m (189) / materials id 9775
Description/Abstract:
Ab-initio phonon calculation for NaSrAs / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaSrAs
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3Ta6(Si2O13)2 / P-62m (189) / materials id 17103
Description/Abstract:
Ab-initio phonon calculation for Sr3Ta6(Si2O13)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
P-62m (189)
,
Phonon
, and
Sr3Ta6(Si2O13)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na3La9B8O27 / P-62m (189) / materials id 6760
Description/Abstract:
Ab-initio phonon calculation for Na3La9B8O27 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na3La9B8O27
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Yb4Mg3H14 / P-62m (189) / materials id 643108
Description/Abstract:
Ab-initio phonon calculation for Yb4Mg3H14 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-62m (189)
,
Phonon
, and
Yb4Mg3H14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba7Al64O103 / P-62m (189) / materials id 667379
Description/Abstract:
Ab-initio phonon calculation for Ba7Al64O103 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba7Al64O103
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca4Mg3H14 / P-62m (189) / materials id 643070
Description/Abstract:
Ab-initio phonon calculation for Ca4Mg3H14 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ca4Mg3H14
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Ba3Ti3(BO6)2 / P-62m (189) / materials id 11772
Description/Abstract:
Ab-initio phonon calculation for Ba3Ti3(BO6)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Ti3(BO6)2
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for BaNaP / P-62m (189) / materials id 9732
Description/Abstract:
Ab-initio phonon calculation for BaNaP / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaNaP
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for NaSrP / P-62m (189) / materials id 13275
Description/Abstract:
Ab-initio phonon calculation for NaSrP / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaSrP
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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MDR phonon calculation database
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P-62m (189)
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Atsushi Togo
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MEXT
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phonopy
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spglib
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