Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
- データセット
- 著者
-
;Terumasa Tadano (author) (この著者で検索)Shinji Tsuneyuki (author) (この著者で検索)
- キーワード
- Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
- 刊行年月日
- 2018-03-07
- 更新時刻
- 2026-08-19 16:57:17 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-RbI (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-RbI
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:29 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-RbCl (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-RbCl
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:07 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-PbS (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-PbS
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:36 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-NaI (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-NaI
- 刊行年月日
- 更新時刻
- 2025-10-27 16:31:36 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-LiH (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-LiH
- 刊行年月日
- 更新時刻
- 2025-10-27 16:31:34 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-KH (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-KH
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:10 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-CaTe (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-CaTe
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:26 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-BaTe (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-BaTe
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:34 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-BaO (PBE)
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, rocksalt-BaO
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:44 +0900