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Phono3py input data to calculate lattice thermal conductvities for zincblende-CuBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuBr in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CuBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-NaI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlSb
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlSb in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-AlSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InAs in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-InAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CdSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CdSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214
Description/Abstract:
Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsSnBr3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004
Description/Abstract:
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Rb4Br2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886
Description/Abstract:
Ab-initio phonon calculation for Ga2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Ga2O3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) / materials id 17894
Description/Abstract:
Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1 (4)
,
Phonon
, and
Rb3Sm(PS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) / materials id 6391
Description/Abstract:
Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Na2ZnSiO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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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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10,145
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Koichi Sakamoto
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SUMIYA, Masatomo
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