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10041.
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) / materials id 773011
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2Ge2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10042.
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Description/Abstract:
Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3c (167)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10043.
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) / materials id 9900
Description/Abstract:
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag2GeS3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10044.
Ab-initio phonon calculation for Te3As2 / R-3m (166) / materials id 9897
Description/Abstract:
Ab-initio phonon calculation for Te3As2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
Te3As2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10045.
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) / materials id 28812
Description/Abstract:
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag5BiO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10046.
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) / materials id 573658
Description/Abstract:
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Cs3BAs2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10047.
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) / materials id 553884
Description/Abstract:
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba5Si(Br3O2)2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10048.
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) / materials id 28485
Description/Abstract:
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P-62c (190)
,
Phonon
, and
Sb5IO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10049.
Ab-initio phonon calculation for RbCaCO3F / P-62m (189) / materials id 867757
Description/Abstract:
Ab-initio phonon calculation for RbCaCO3F / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-62m (189)
,
Phonon
, and
RbCaCO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10050.
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) / materials id 5818
Description/Abstract:
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Tl4SnS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,144
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MDR phonon calculation database
10,034
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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SUMIYA, Masatomo
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