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C2 (5)
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Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) / materials id 7079
Description/Abstract:
Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
CaZrSi2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2LiBO3 / C2 (5) / materials id 557632
Description/Abstract:
Ab-initio phonon calculation for K2LiBO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
K2LiBO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Hg2P2S7 / C2 (5) / materials id 27171
Description/Abstract:
Ab-initio phonon calculation for Hg2P2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Hg2P2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YTmO3 / C2 (5) / materials id 766256
Description/Abstract:
Ab-initio phonon calculation for YTmO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
Phonon
, and
YTmO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na5SbO5 / C2 (5) / materials id 759876
Description/Abstract:
Ab-initio phonon calculation for Na5SbO5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Na5SbO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr2LiNb3O10 / C2 (5) / materials id 756854
Description/Abstract:
Ab-initio phonon calculation for Sr2LiNb3O10 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Sr2LiNb3O10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Bi2TeO2 / C2 (5) / materials id 755419
Description/Abstract:
Ab-initio phonon calculation for Bi2TeO2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Bi2TeO2
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Bi(BO2)3 / C2 (5) / materials id 23349
Description/Abstract:
Ab-initio phonon calculation for Bi(BO2)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Bi(BO2)3
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Rb2NaNb6(PO8)3 / C2 (5) / materials id 677731
Description/Abstract:
Ab-initio phonon calculation for Rb2NaNb6(PO8)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2 (5)
,
Phonon
, and
Rb2NaNb6(PO8)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for SrTaNO2 / C2 (5) / materials id 849636
Description/Abstract:
Ab-initio phonon calculation for SrTaNO2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Phonon
, and
SrTaNO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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59
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MDR phonon calculation database
59
Keyword
C2 (5)
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59
Phonon
59
Ca(HO)2
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Ba2Na2B10H2O19
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NIMS
59
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59
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59
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59
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Atsushi Togo
59
Funder
MEXT
59
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VASP
59
phonopy
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spglib
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