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C2/m (12)
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Ab-initio phonon calculation for Sn2OF5 / C2/m (12) / materials id 29590
Description/Abstract:
Ab-initio phonon calculation for Sn2OF5 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
Sn2OF5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cs3TlO3 / C2/m (12) / materials id 768537
Description/Abstract:
Ab-initio phonon calculation for Cs3TlO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Cs3TlO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2TaBiO6 / C2/m (12) / materials id 545544
Description/Abstract:
Ab-initio phonon calculation for Ba2TaBiO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2TaBiO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrWN3 / C2/m (12) / materials id 989513
Description/Abstract:
Ab-initio phonon calculation for SrWN3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Phonon
, and
SrWN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiAgF4 / C2/m (12) / materials id 867712
Description/Abstract:
Ab-initio phonon calculation for LiAgF4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
LiAgF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for Th(TeI)2 / C2/m (12) / materials id 542180
Description/Abstract:
Ab-initio phonon calculation for Th(TeI)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Phonon
, and
Th(TeI)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for LaTaN2O / C2/m (12) / materials id 550514
Description/Abstract:
Ab-initio phonon calculation for LaTaN2O / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
LaTaN2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for LaPb6ClO7 / C2/m (12) / materials id 556523
Description/Abstract:
Ab-initio phonon calculation for LaPb6ClO7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
LaPb6ClO7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li2TeO3 / C2/m (12) / materials id 865750
Description/Abstract:
Ab-initio phonon calculation for Li2TeO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Li2TeO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Tl2SnS3 / C2/m (12) / materials id 542623
Description/Abstract:
Ab-initio phonon calculation for Tl2SnS3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
Tl2SnS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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NIMS
368
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Creative Commons BY Attribution 4.0 International
368
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simulation
368
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Atsushi Togo
368
Funder
MEXT
368
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VASP
368
phonopy
368
spglib
368