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Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
- Dataset
- Creator
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;Terumasa Tadano (author) (Search by this author)Shinji Tsuneyuki (author) (Search by this author)
- Keyword
- Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
- Date published
- 2018-03-07
- Updated at
- 2026-08-19 16:57:17 +0900
Input and Output Data for "Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study"
- Dataset
- Creator
-
;Terumasa Tadano (author) (Search by this author);Yoshihiro Gohda (author) (Search by this author)Shinji Tsuneyuki (author) (Search by this author)
- Keyword
- Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
- Date published
- 2015-03-04
- Updated at
- 2026-08-18 15:46:45 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- Journal article
- Creator
-
;Masato Ohnishi (author) (Search by this author);Tianqi Deng (author) (Search by this author);Pol Torres (author) (Search by this author);Zhihao Xu (author) (Search by this author)Terumasa Tadano (author) (Search by this author)
;
;Haoming Zhang (author) (Search by this author);Wei Nong (author) (Search by this author);Masatoshi Hanai (author) (Search by this author);Zeyu Wang (author) (Search by this author);Michimasa Morita (author) (Search by this author);Zhiting Tian (author) (Search by this author);Ming Hu (author) (Search by this author);Xiulin Ruan (author) (Search by this author);Ryo Yoshida (author) (Search by this author);Toyotaro Suzumura (author) (Search by this author);Lucas Lindsay (author) (Search by this author);Alan J. H. McGaughey (author) (Search by this author);Tengfei Luo (author) (Search by this author);Kedar Hippalgaonkar (author) (Search by this author)Junichiro Shiomi (author) (Search by this author) - Keyword
- Thermal conductivity, Phonon, First-principles calculation
- Date published
- 2026-04-13
- Updated at
- 2026-05-12 08:46:56 +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
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Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- 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-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)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, zincblende-ZnSe
- Date published
- Updated at
- 2025-10-27 16:31:59 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-ZnS (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)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, zincblende-ZnS
- Date published
- Updated at
- 2025-10-27 16:32:25 +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)Center for Basic Research on Materials, National Institute for Materials Science
- 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-SiC (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)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, zincblende-SiC
- Date published
- Updated at
- 2025-10-27 16:30:39 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-MgTe (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)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, zincblende-MgTe
- Date published
- Updated at
- 2025-10-27 16:30:08 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-InSb (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)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, zincblende-InSb
- Date published
- Updated at
- 2025-10-27 16:31:03 +0900