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Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886
Description/Abstract:
Ab-initio phonon calculation for Ga2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Ga2O3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KTlO / C2/m (12) / materials id 27716
Description/Abstract:
Ab-initio phonon calculation for KTlO / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
KTlO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081
Description/Abstract:
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
NaMg2H3(SO4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaP3 / C2/m (12) / materials id 7808
Description/Abstract:
Ab-initio phonon calculation for BaP3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BaP3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) / materials id 558128
Description/Abstract:
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
KNd2NbO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) / materials id 23980
Description/Abstract:
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
Cs3H(SeO4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiH3O2 / C2/m (12) / materials id 27281
Description/Abstract:
Ab-initio phonon calculation for LiH3O2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
LiH3O2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604
Description/Abstract:
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2Mg3H10
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaBiBS4 / C2/m (12) / materials id 861618
Description/Abstract:
Ab-initio phonon calculation for BaBiBS4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaBiBS4
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3GeSe3 / C2/m (12) / materials id 14435
Description/Abstract:
Ab-initio phonon calculation for K3GeSe3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
K3GeSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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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368
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368
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Atsushi Togo
368
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MEXT
368
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VASP
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phonopy
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spglib
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