Keyword: Phonon

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Ab-initio phonon calculation for Sr3Al2(HO)12 / Ia-3d (230) / materials id 24126
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Sr3Al2(HO)12, Ia-3d (230)
Date published
Updated at
2023-05-14 18:45:38 +0900

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Ab-initio phonon calculation for Y(BH4)3 / Pa-3 (205) / materials id 571369
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Y(BH4)3, Pa-3 (205)
Date published
Updated at
2023-05-14 18:57:13 +0900

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Ab-initio phonon calculation for AlH12(NO5)3 / Ia-3 (206) / materials id 699485
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, AlH12(NO5)3, Ia-3 (206)
Date published
Updated at
2023-05-14 18:41:44 +0900

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Ab-initio phonon calculation for Ba3In2(HO)12 / Ia-3d (230) / materials id 740719
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Ba3In2(HO)12, Ia-3d (230)
Date published
Updated at
2023-05-14 18:56:10 +0900

Dataset
Phono3py input data to calculate lattice thermal conductivities for zincblende-GaSb (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, zincblende-GaSb
Date published
Updated at
2025-10-27 16:31:49 +0900

Dataset
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaSb
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, zincblende-GaSb
Date published
Updated at
2024-01-28 16:19:42 +0900

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Ab-initio phonon calculation for Ba14AlSb11 / I4_1/acd (142) / materials id 530714
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Ba14AlSb11, I4_1/acd (142)
Date published
Updated at
2023-05-14 18:51:04 +0900

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Ab-initio phonon calculation for MgP2(H8O5)2 / I4_1/acd (142) / materials id 24195
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, MgP2(H8O5)2, I4_1/acd (142)
Date published
Updated at
2023-05-14 18:45:50 +0900

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Ab-initio phonon calculation for Ca3Al2(HO)12 / Ia-3d (230) / materials id 23882
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, Ca3Al2(HO)12, Ia-3d (230)
Date published
Updated at
2023-05-14 18:44:24 +0900

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Ab-initio phonon calculation for KGaSb2 / Cmce (64) / materials id 29383
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, KGaSb2, Cmce (64)
Date published
Updated at
2023-05-14 18:49:29 +0900