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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
Resource type
Dataset(206)
Journal article(1)
Keyword
Phonon (207)
rocksalt-AgBr (2)
rocksalt-AgCl (2)
rocksalt-BaO (2)
rocksalt-BaS (2)
rocksalt-BaSe (2)
rocksalt-BaTe (2)
rocksalt-CaO (2)
rocksalt-CaS (2)
rocksalt-CaSe (2)
(more)
License
Creative Commons BY Attribution 4.0 International (207)
File type
application/x-xz (206)
application/pdf (1)
Keyword: Phonon
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207 records found.
Phono3py input data to calculate lattice thermal conductivities for wurtzite-ZnSe (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-ZnSe
Date published
Updated at
2025-10-27 16:34:46 +0900
Phono3py input data to calculate lattice thermal conductivities for wurtzite-InN (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-InN
Date published
Updated at
2025-10-27 16:31:39 +0900
Phono3py input data to calculate lattice thermal conductivities for wurtzite-GaSb (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-GaSb
Date published
Updated at
2025-10-27 16:34:23 +0900
Phono3py input data to calculate lattice thermal conductivities for wurtzite-GaAs (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-GaAs
Date published
Updated at
2025-10-27 16:31:31 +0900
Phono3py input data to calculate lattice thermal conductivities for wurtzite-CuI (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-CuI
Date published
Updated at
2025-10-27 16:34:04 +0900
Phono3py input data to calculate lattice thermal conductivities for wurtzite-BN (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
wurtzite-BN
Date published
Updated at
2025-10-27 16:34:14 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-ZnTe (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
zincblende-ZnTe
Date published
Updated at
2025-10-27 16:31:42 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-ZnO (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
zincblende-ZnO
Date published
Updated at
2025-10-27 16:34:20 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-InAs (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
zincblende-InAs
Date published
Updated at
2025-10-27 16:34:18 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-GaP (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
zincblende-GaP
Date published
Updated at
2025-10-27 16:34:12 +0900
Keyword
Phonon
(207)
rocksalt-AgBr
(2)
rocksalt-AgCl
(2)
rocksalt-BaO
(2)
rocksalt-BaS
(2)
rocksalt-BaSe
(2)
rocksalt-BaTe
(2)
rocksalt-CaO
(2)
rocksalt-CaS
(2)
rocksalt-CaSe
(2)
rocksalt-CaTe
(2)
rocksalt-CdO
(2)
rocksalt-CsF
(2)
rocksalt-KBr
(2)
rocksalt-KCl
(2)
rocksalt-KF
(2)
rocksalt-KH
(2)
rocksalt-KI
(2)
rocksalt-LiBr
(2)
rocksalt-LiCl
(2)
rocksalt-LiF
(2)
rocksalt-LiH
(2)
rocksalt-LiI
(2)
rocksalt-MgO
(2)
rocksalt-NaBr
(2)
rocksalt-NaCl
(2)
rocksalt-NaF
(2)
rocksalt-NaH
(2)
rocksalt-NaI
(2)
rocksalt-PbS
(2)
rocksalt-PbSe
(2)
rocksalt-PbTe
(2)
rocksalt-RbBr
(2)
rocksalt-RbCl
(2)
rocksalt-RbF
(2)
rocksalt-RbH
(2)
rocksalt-RbI
(2)
rocksalt-SrO
(2)
wurtzite-AgI
(2)
wurtzite-AlAs
(2)
wurtzite-AlN
(2)
wurtzite-AlP
(2)
wurtzite-AlSb
(2)
wurtzite-BAs
(2)
wurtzite-BN
(2)
wurtzite-BP
(2)
wurtzite-BeO
(2)
wurtzite-BeS
(2)
wurtzite-BeSe
(2)
wurtzite-BeTe
(2)
wurtzite-CdS
(2)
wurtzite-CdSe
(2)
wurtzite-CdTe
(2)
wurtzite-CuBr
(2)
wurtzite-CuCl
(2)
wurtzite-CuH
(2)
wurtzite-CuI
(2)
wurtzite-GaAs
(2)
wurtzite-GaN
(2)
wurtzite-GaP
(2)
wurtzite-GaSb
(2)
wurtzite-InAs
(2)
wurtzite-InN
(2)
wurtzite-InP
(2)
wurtzite-InSb
(2)
wurtzite-MgTe
(2)
wurtzite-SiC
(2)
wurtzite-ZnO
(2)
wurtzite-ZnS
(2)
wurtzite-ZnSe
(2)
wurtzite-ZnTe
(2)
zincblende-AgI
(2)
zincblende-AlAs
(2)
zincblende-AlN
(2)
zincblende-AlP
(2)
zincblende-AlSb
(2)
zincblende-BAs
(2)
zincblende-BN
(2)
zincblende-BP
(2)
zincblende-BeO
(2)
zincblende-BeS
(2)
zincblende-BeSe
(2)
zincblende-BeTe
(2)
zincblende-CdS
(2)
zincblende-CdSe
(2)
zincblende-CdTe
(2)
zincblende-CuBr
(2)
zincblende-CuCl
(2)
zincblende-CuH
(2)
zincblende-CuI
(2)
zincblende-GaAs
(2)
zincblende-GaN
(2)
zincblende-GaP
(2)
zincblende-GaSb
(2)
zincblende-InAs
(2)
zincblende-InN
(2)
zincblende-InP
(2)
zincblende-InSb
(2)
zincblende-MgTe
(2)
zincblende-SiC
(2)
zincblende-ZnO
(2)
zincblende-ZnS
(2)
zincblende-ZnSe
(2)
zincblende-ZnTe
(2)
First-principles calculation
(1)
Thermal conductivity
(1)
RDE metadata def
RDE invoice schema
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