615 records found.
Ab-initio phonon calculation for CsVI3 / P6_3/mmc (194) / materials id 22991
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsVI3, P6_3/mmc (194)
- Date published
- Updated at
- 2023-05-14 18:43:52 +0900
Ab-initio phonon calculation for CsVBr3 / P6_3/mmc (194) / materials id 23038
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsVBr3, P6_3/mmc (194)
- Date published
- Updated at
- 2023-05-14 18:44:15 +0900
Ab-initio phonon calculation for CsVCl3 / P6_3/mmc (194) / materials id 22977
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsVCl3, P6_3/mmc (194)
- Date published
- Updated at
- 2023-05-14 18:43:40 +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
Ab-initio phonon calculation for Cs2LiYCl6 / Fm-3m (225) / materials id 567652
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Cs2LiYCl6, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 18:57:15 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-CsF (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, rocksalt-CsF
- Date published
- Updated at
- 2025-10-27 16:31:57 +0900
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CsF
- Dataset
- Collection
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Phonon, rocksalt-CsF
- Date published
- Updated at
- 2024-01-28 16:16:00 +0900
Ab-initio phonon calculation for Cs2LiIr(CN)6 / Fm-3m (225) / materials id 574653
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Cs2LiIr(CN)6, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 18:58:32 +0900
Ab-initio phonon calculation for CsScO2 / Fd-3m (227) / materials id 754826
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsScO2, Fd-3m (227)
- Date published
- Updated at
- 2023-05-14 19:01:12 +0900
Ab-initio phonon calculation for Cs2ZrCl6 / Fm-3m (225) / materials id 638729
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Cs2ZrCl6, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 18:58:20 +0900