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Ab-initio phonon calculation for BaTeO4 / Pbcn (60) / materials id 754967
Description/Abstract:
Ab-initio phonon calculation for BaTeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTeO4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for B6H10N / Fm-3 (202) / materials id 31064
Description/Abstract:
Ab-initio phonon calculation for B6H10N / Fm-3 (202) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
B6H10N
,
Fm-3 (202)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) / materials id 560170
Description/Abstract:
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/m (12)
,
Nd5Te2Cl3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CsReF8 / P4/nmm (129) / materials id 29842
Description/Abstract:
Ab-initio phonon calculation for CsReF8 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsReF8
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Na5InO4 / Pbca (61) / materials id 14493
Description/Abstract:
Ab-initio phonon calculation for Na5InO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na5InO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Na3Li3Al2F12 / Ia-3d (230) / materials id 6711
Description/Abstract:
Ab-initio phonon calculation for Na3Li3Al2F12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ia-3d (230)
,
Na3Li3Al2F12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ag2PbO2 / C2/c (15) / materials id 20210
Description/Abstract:
Ab-initio phonon calculation for Ag2PbO2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ag2PbO2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for In2S3 / I4_1/amd (141) / materials id 22216
Description/Abstract:
Ab-initio phonon calculation for In2S3 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/amd (141)
,
In2S3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2B5ClO9 / Pnn2 (34) / materials id 555742
Description/Abstract:
Ab-initio phonon calculation for Ba2B5ClO9 / Pnn2 (34) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2B5ClO9
,
Phonon
, and
Pnn2 (34)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sm(HO)3 / P6_3/m (176) / materials id 625402
Description/Abstract:
Ab-initio phonon calculation for Sm(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/m (176)
,
Phonon
, and
Sm(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Koichi Sakamoto
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