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Ab-initio phonon calculation for CaTaF7 / P2_1/c (14) / materials id 558235
Description/Abstract:
Ab-initio phonon calculation for CaTaF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaTaF7
,
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 Ti3(BiO3)4 / Cc (9) / materials id 558277
Description/Abstract:
Ab-initio phonon calculation for Ti3(BiO3)4 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cc (9)
,
Phonon
, and
Ti3(BiO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2PbO3 / Pnma (62) / materials id 504935
Description/Abstract:
Ab-initio phonon calculation for K2PbO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
K2PbO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for HfO2 / P2_1/c (14) / materials id 352
Description/Abstract:
Ab-initio phonon calculation for HfO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfO2
,
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 Sr5Ta4O15 / P-3m1 (164) / materials id 769297
Description/Abstract:
Ab-initio phonon calculation for Sr5Ta4O15 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-3m1 (164)
,
Phonon
, and
Sr5Ta4O15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) / materials id 36165
Description/Abstract:
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Na10Zn4O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GeS2 / I-42d (122) / materials id 7582
Description/Abstract:
Ab-initio phonon calculation for GeS2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
GeS2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaCl3 / C2/m (12) / materials id 30952
Description/Abstract:
Ab-initio phonon calculation for GaCl3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
GaCl3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba3Ti2O7 / Fmm2 (42) / materials id 770118
Description/Abstract:
Ab-initio phonon calculation for Ba3Ti2O7 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba3Ti2O7
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KGe2BO6 / P2_12_12_1 (19) / materials id 556463
Description/Abstract:
Ab-initio phonon calculation for KGe2BO6 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KGe2BO6
,
P2_12_12_1 (19)
, and
Phonon
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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10,145
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Koichi Sakamoto
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