Keyword: Phonon

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s41524-026-02033-w.pdf
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)
; ORCID SAMURAI ;
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

band_structure.png
Ab-initio phonon calculation for SmIO / P4/nmm (129) / materials id 754217
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, SmIO, P4/nmm (129)
Date published
Updated at
2023-05-14 19:00:37 +0900

band_structure.png
Ab-initio phonon calculation for SmInO3 / Pnma (62) / materials id 752437
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, SmInO3, Pnma (62)
Date published
Updated at
2023-05-14 18:57:58 +0900

band_structure.png
Ab-initio phonon calculation for TmIO / P4/nmm (129) / materials id 27439
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, TmIO, P4/nmm (129)
Date published
Updated at
2023-05-14 18:41:47 +0900

band_structure.png
Ab-initio phonon calculation for InSiTe3 / P-31m (162) / materials id 567931
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, InSiTe3, P-31m (162)
Date published
Updated at
2023-05-14 18:33:22 +0900

band_structure.png
Ab-initio phonon calculation for K3SiTe3 / C2/m (12) / materials id 7657
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, K3SiTe3, C2/m (12)
Date published
Updated at
2023-05-14 19:00:56 +0900

band_structure.png
Ab-initio phonon calculation for Sm2SiTeO4 / Pbcm (57) / materials id 6055
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Sm2SiTeO4, Pbcm (57)
Date published
Updated at
2023-05-14 18:46:55 +0900

band_structure.png
Ab-initio phonon calculation for Cs4SiTe4 / P-43n (218) / materials id 574224
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Cs4SiTe4, P-43n (218)
Date published
Updated at
2023-05-14 18:58:29 +0900

band_structure.png
Ab-initio phonon calculation for CsSiTe3 / Cc (9) / materials id 570957
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, CsSiTe3, Cc (9)
Date published
Updated at
2023-05-14 18:56:27 +0900

band_structure.png
Ab-initio phonon calculation for Zn4SiTePbO10 / Pnma (62) / materials id 558938
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Zn4SiTePbO10, Pnma (62)
Date published
Updated at
2023-05-14 18:57:56 +0900

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