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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 SrTaNO2 / C2 (5) / materials id 849636
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SrTaNO2, C2 (5)
- Date published
- Updated at
- 2023-05-14 19:07:06 +0900
Ab-initio phonon calculation for SrTaNO2 / Pc (7) / materials id 756088
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SrTaNO2, Pc (7)
- Date published
- Updated at
- 2023-05-14 18:53:09 +0900
Ab-initio phonon calculation for SrTaNO2 / Pm (6) / materials id 755441
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SrTaNO2, Pm (6)
- Date published
- Updated at
- 2023-05-14 18:45:30 +0900
Ab-initio phonon calculation for SrTaNO2 / Pm (6) / materials id 754505
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SrTaNO2, Pm (6)
- Date published
- Updated at
- 2023-05-14 19:00:54 +0900
Ab-initio phonon calculation for TaNO / C2/m (12) / materials id 5813
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, TaNO, C2/m (12)
- Date published
- Updated at
- 2023-05-14 18:58:29 +0900
Ab-initio phonon calculation for NaTaN2 / R-3m (166) / materials id 5475
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, NaTaN2, R-3m (166)
- Date published
- Updated at
- 2023-05-14 18:50:19 +0900
Ab-initio phonon calculation for TaNO / P2_1/c (14) / materials id 4165
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, TaNO, P2_1/c (14)
- Date published
- Updated at
- 2023-05-14 18:50:24 +0900
Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
- Dataset
- Creator
-
;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
Ab-initio phonon calculation for TaNbO5 / Pnma (62) / materials id 756127
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, TaNbO5, Pnma (62)
- Date published
- Updated at
- 2023-05-14 18:53:27 +0900