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Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) / materials id 5854
Description/Abstract:
Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiGaO2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) / materials id 568116
Description/Abstract:
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Lu2(CN2)3
,
Phonon
, and
R32 (155)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) / materials id 6987
Description/Abstract:
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cccm (66)
,
Phonon
, and
Sr(GaTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P2Pd / C2/c (15) / materials id 28266
Description/Abstract:
Ab-initio phonon calculation for P2Pd / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
P2Pd
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaHS / R3m (160) / materials id 36582
Description/Abstract:
Ab-initio phonon calculation for NaHS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
NaHS
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) / materials id 6289
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba2Ti(GeO4)2
,
P4bm (100)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) / materials id 780535
Description/Abstract:
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaLu2O4
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) / materials id 10347
Description/Abstract:
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsCa2Ta3O10
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) / materials id 7644
Description/Abstract:
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LuAsO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ar / Fm-3m (225) / materials id 23155
Description/Abstract:
Ab-initio phonon calculation for Ar / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ar
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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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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