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101.
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
102.
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
103.
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
104.
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
105.
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
106.
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
107.
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
108.
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
109.
Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338
Description/Abstract:
Ab-initio phonon calculation for ZnSeO3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbca (61)
,
Phonon
, and
ZnSeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
110.
Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742
Description/Abstract:
Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
BaAgTeF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,137
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10,137
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open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
[remove]
10,137
phono3py
103