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Ab-initio phonon calculation for KNaLaNbO5 / P4/nmm (129) / materials id 10942
Description/Abstract:
Ab-initio phonon calculation for KNaLaNbO5 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KNaLaNbO5
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) / materials id 570959
Description/Abstract:
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2CdSe4
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbGeI3 / Pm-3m (221) / materials id 571458
Description/Abstract:
Ab-initio phonon calculation for RbGeI3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pm-3m (221)
, and
RbGeI3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KZn4(SbO4)3 / R3 (146) / materials id 863678
Description/Abstract:
Ab-initio phonon calculation for KZn4(SbO4)3 / R3 (146) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KZn4(SbO4)3
,
Phonon
, and
R3 (146)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaSbS2 / C2/m (12) / materials id 557179
Description/Abstract:
Ab-initio phonon calculation for NaSbS2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
NaSbS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiN3 / C2/m (12) / materials id 2659
Description/Abstract:
Ab-initio phonon calculation for LiN3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
LiN3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KPH3O4F / P2_1/c (14) / materials id 24214
Description/Abstract:
Ab-initio phonon calculation for KPH3O4F / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KPH3O4F
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tl5SbO5 / Cmc2_1 (36) / materials id 27220
Description/Abstract:
Ab-initio phonon calculation for Tl5SbO5 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Tl5SbO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PbCl2 / Pnma (62) / materials id 23291
Description/Abstract:
Ab-initio phonon calculation for PbCl2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
PbCl2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Zn(GaTe2)2 / I-4 (82) / materials id 15777
Description/Abstract:
Ab-initio phonon calculation for Zn(GaTe2)2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-4 (82)
,
Phonon
, and
Zn(GaTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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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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