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I4/mmm (139)
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Ab-initio phonon calculation for Ba5Hf4S13 / I4/mmm (139) / materials id 557032
Description/Abstract:
Ab-initio phonon calculation for Ba5Hf4S13 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba5Hf4S13
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) / materials id 21445
Description/Abstract:
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3In2O5F2
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HgF / I4/mmm (139) / materials id 706
Description/Abstract:
Ab-initio phonon calculation for HgF / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgF
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2Pd(IBr2)2 / I4/mmm (139) / materials id 567948
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd(IBr2)2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
I4/mmm (139)
,
Phonon
, and
Rb2Pd(IBr2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2TeO2 / I4/mmm (139) / materials id 16037
Description/Abstract:
Ab-initio phonon calculation for Dy2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2TeO2
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2ZrO4 / I4/mmm (139) / materials id 8335
Description/Abstract:
Ab-initio phonon calculation for Ba2ZrO4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2ZrO4
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba8Bi4H2O / I4/mmm (139) / materials id 865213
Description/Abstract:
Ab-initio phonon calculation for Ba8Bi4H2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba8Bi4H2O
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na4I2O / I4/mmm (139) / materials id 22937
Description/Abstract:
Ab-initio phonon calculation for Na4I2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4/mmm (139)
,
Na4I2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LaH3 / I4/mmm (139) / materials id 973064
Description/Abstract:
Ab-initio phonon calculation for LaH3 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
LaH3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba(CuS)2 / I4/mmm (139) / materials id 4255
Description/Abstract:
Ab-initio phonon calculation for Ba(CuS)2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba(CuS)2
,
I4/mmm (139)
, 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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I4/mmm (139)
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146
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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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