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Ab-initio phonon calculation for BaReN3 / C2/c (15) / materials id 989637
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BaReN3, C2/c (15)
- Date published
- Updated at
- 2023-05-14 19:03:06 +0900
Ab-initio phonon calculation for Ba3NaRuO6 / R-3c (167) / materials id 9745
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba3NaRuO6, R-3c (167)
- Date published
- Updated at
- 2023-05-14 19:01:47 +0900
Ab-initio phonon calculation for Ba2NaReO6 / Fm-3m (225) / materials id 6798
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba2NaReO6, Fm-3m (225)
- Date published
- Updated at
- 2023-05-14 18:58:02 +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 BaReH9 / P6_3/mmc (194) / materials id 28911
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BaReH9, P6_3/mmc (194)
- Date published
- Updated at
- 2023-05-14 18:47:02 +0900
Ab-initio phonon calculation for CuHgSeCl / Pbam (55) / materials id 569687
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CuHgSeCl, Pbam (55)
- Date published
- Updated at
- 2023-05-14 18:52:37 +0900
Ab-initio phonon calculation for Ba3Zr6BeCl18 / R-3c (167) / materials id 569563
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba3Zr6BeCl18, R-3c (167)
- Date published
- Updated at
- 2023-05-14 18:52:10 +0900
Ab-initio phonon calculation for BeCl2 / Ibam (72) / materials id 23267
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BeCl2, Ibam (72)
- Date published
- Updated at
- 2023-05-14 18:45:30 +0900
Ab-initio phonon calculation for BaNa2Al4(SiO4)4 / Iba2 (45) / materials id 6875
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BaNa2Al4(SiO4)4, Iba2 (45)
- Date published
- Updated at
- 2023-05-14 18:59:43 +0900
Ab-initio phonon calculation for Ba3BAsO3 / P6_3/mmc (194) / materials id 9793
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba3BAsO3, P6_3/mmc (194)
- Date published
- Updated at
- 2023-05-14 19:02:09 +0900