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 LiCuCO3 / Cmme (67) / materials id 753425
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, LiCuCO3, Cmme (67)
- Date published
- Updated at
- 2023-05-14 18:59:44 +0900
Ab-initio phonon calculation for K2LiAlF6 / Fm-3m (225) / materials id 9839
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, K2LiAlF6, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 19:02:23 +0900
Ab-initio phonon calculation for LiAlH4 / I4_1/a (88) / materials id 976291
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, LiAlH4, I4_1/a (88)
- Date published
- Updated at
- 2023-05-14 19:01:54 +0900
Ab-initio phonon calculation for Na2LiAlP2 / Cmce (64) / materials id 9719
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Na2LiAlP2, Cmce (64)
- Date published
- Updated at
- 2023-05-14 19:01:34 +0900
Ab-initio phonon calculation for NaLi2AsO4 / Pmn2_1 (31) / materials id 9066
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, NaLi2AsO4, Pmn2_1 (31)
- Date published
- Updated at
- 2023-05-14 18:57:48 +0900
Ab-initio phonon calculation for NaLiTe / Pnma (62) / materials id 8754
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, NaLiTe, Pnma (62)
- Date published
- Updated at
- 2023-05-14 18:52:49 +0900
Ab-initio phonon calculation for NaLi2Bi / Fm-3m (225) / materials id 865101
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, NaLi2Bi, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 19:08:43 +0900
Ab-initio phonon calculation for AlInSe3 / P6_1 (169) / materials id 862787
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, AlInSe3, P6_1 (169)
- Date published
- Updated at
- 2023-05-14 19:08:35 +0900
Ab-initio phonon calculation for NaLiS / P4/nmm (129) / materials id 8452
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, NaLiS, P4/nmm (129)
- Date published
- Updated at
- 2023-05-14 19:06:36 +0900