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Cc (9)
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Ab-initio phonon calculation for Ba2TiOF6 / Cc (9) / materials id 561256
Description/Abstract:
Ab-initio phonon calculation for Ba2TiOF6 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Ba2TiOF6
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr(H8O5)2 / Cc (9) / materials id 625801
Description/Abstract:
Ab-initio phonon calculation for Sr(H8O5)2 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cc (9)
,
Phonon
, and
Sr(H8O5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Na3WN3 / Cc (9) / materials id 16839
Description/Abstract:
Ab-initio phonon calculation for Na3WN3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
Na3WN3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CdAg4Ge2S7 / Cc (9) / materials id 542200
Description/Abstract:
Ab-initio phonon calculation for CdAg4Ge2S7 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cc (9)
,
CdAg4Ge2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ag2TeS3 / Cc (9) / materials id 29163
Description/Abstract:
Ab-initio phonon calculation for Ag2TeS3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ag2TeS3
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca2Si5N8 / Cc (9) / materials id 28922
Description/Abstract:
Ab-initio phonon calculation for Ca2Si5N8 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Ca2Si5N8
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Tl2Te3 / Cc (9) / materials id 680731
Description/Abstract:
Ab-initio phonon calculation for Tl2Te3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
Phonon
, and
Tl2Te3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ga2S3 / Cc (9) / materials id 539
Description/Abstract:
Ab-initio phonon calculation for Ga2S3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
Cc (9)
,
Ga2S3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TlBSe3 / Cc (9) / materials id 29959
Description/Abstract:
Ab-initio phonon calculation for TlBSe3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
Phonon
, and
TlBSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiAsS2 / Cc (9) / materials id 555874
Description/Abstract:
Ab-initio phonon calculation for LiAsS2 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
LiAsS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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82
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MDR phonon calculation database
82
Keyword
Cc (9)
[remove]
82
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82
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Atsushi Togo
82
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MEXT
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VASP
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phonopy
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spglib
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