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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 BaSm2PtO5 / P4/mbm (127) / materials id 9757
- Dataset
- Collection
- MDR phonon calculation database
- Creator
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Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BaSm2PtO5, P4/mbm (127)
- Date published
- Updated at
- 2023-05-14 19:01:52 +0900
Ab-initio phonon calculation for Ba4Sm4Zn3PtO15 / P6_3mc (186) / materials id 9737
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba4Sm4Zn3PtO15, P6_3mc (186)
- Date published
- Updated at
- 2023-05-14 19:01:43 +0900
Ab-initio phonon calculation for BaLa2PtO5 / P4/mbm (127) / materials id 8809
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BaLa2PtO5, P4/mbm (127)
- Date published
- Updated at
- 2023-05-14 18:53:43 +0900
Ab-initio phonon calculation for Ba4PtO6 / R-3c (167) / materials id 8727
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ba4PtO6, R-3c (167)
- Date published
- Updated at
- 2023-05-14 18:52:34 +0900
Ab-initio phonon calculation for Li8PtO6 / R-3 (148) / materials id 8610
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Li8PtO6, R-3 (148)
- Date published
- Updated at
- 2023-05-14 19:08:16 +0900
Ab-initio phonon calculation for Ca4PtO6 / R-3c (167) / materials id 8568
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Ca4PtO6, R-3c (167)
- Date published
- Updated at
- 2023-05-14 19:07:57 +0900
Ab-initio phonon calculation for PtO2 / P6_3mc (186) / materials id 7868
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, PtO2, P6_3mc (186)
- Date published
- Updated at
- 2023-05-14 19:03:27 +0900
Ab-initio phonon calculation for Sr3ZnPtO6 / R-3c (167) / materials id 6730
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Sr3ZnPtO6, R-3c (167)
- Date published
- Updated at
- 2023-05-14 18:54:11 +0900
Ab-initio phonon calculation for Na2H6PtO6 / P-3 (147) / materials id 632760
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, Na2H6PtO6, P-3 (147)
- Date published
- Updated at
- 2023-05-14 18:57:46 +0900