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Ab-initio phonon calculation for Li6UO6 / R-3m (166) / materials id 8609
Description/Abstract:
Ab-initio phonon calculation for Li6UO6 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li6UO6
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSr3I8 / I4/mmm (139) / materials id 754736
Description/Abstract:
Ab-initio phonon calculation for BaSr3I8 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
BaSr3I8
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) / materials id 684638
Description/Abstract:
Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Al2S3
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) / materials id 16137
Description/Abstract:
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
K4CaU3O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsCdBr3 / P6_3/mmc (194) / materials id 541899
Description/Abstract:
Ab-initio phonon calculation for CsCdBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsCdBr3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3Bi5(PO4)6 / C2/c (15) / materials id 565692
Description/Abstract:
Ab-initio phonon calculation for K3Bi5(PO4)6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
K3Bi5(PO4)6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) / materials id 13055
Description/Abstract:
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2LaTaO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaNbO2 / P6_3/mmc (194) / materials id 3744
Description/Abstract:
Ab-initio phonon calculation for NaNbO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaNbO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) / materials id 567371
Description/Abstract:
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
Phonon
, and
Sr3Li4(GeN3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaHSeO4 / P2_1/c (14) / materials id 644302
Description/Abstract:
Ab-initio phonon calculation for NaHSeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaHSeO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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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Masashi Ishii
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