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9956 records found.

band_structure.png
Ab-initio phonon calculation for AlP / F-43m (216) / materials id 1550
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, AlP, F-43m (216)
Date published
Updated at
2023-05-14 18:35:38 +0900
band_structure.png
Ab-initio phonon calculation for AlP / P6_3mc (186) / materials id 8880
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon, AlP, P6_3mc (186)
Date published
Updated at
2023-05-14 18:54:56 +0900
band_pdos.png
First-principles lattice thermal conductivity calculation for AlP / F-43m (216) / materials id 1550
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, AlP
Date published
Updated at
2026-01-24 15:32:31 +0900
band_pdos.png
First-principles lattice thermal conductivity calculation for AlP / P6_3mc (186) / materials id 8880
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, AlP
Date published
Updated at
2026-01-24 14:46:42 +0900
Dataset
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
Dataset
Creator
ORCID SAMURAI ; ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (Search by this author)
ORCID ;
NAKAYAMA, Tomofumi (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
OKADA, Masato (author) (Search by this author)
ORCID
Keyword
quantum chemistry, electrolyte, battery
Date published
2019-11-18
Updated at
2024-01-05 22:13:39 +0900
Dataset
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
Dataset
Creator
ORCID SAMURAI
Keyword
Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
Date published
2020-10-15
Updated at
2024-01-05 22:12:16 +0900
band_pdos.png
First-principles lattice thermal conductivity calculation for Na5HfAs3 / P2_1/c (14) / materials id 541236
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, Na5HfAs3
Date published
Updated at
2026-01-24 14:10:54 +0900
Co_metal_sp.thumb.png
HAXPES spectra of Co Sputtered
Dataset
Collection
MDR HAXPES DB
Creator
Industrial Application and Partnership Division, JASRI (author) (Search by this author)
Keyword
BL46XU, HAXPES, SPring-8, collection - MDR HAXPES DB, Co Sputtered
Date published
2021-10-18
Updated at
2022-10-03 02:08:00 +0900
Ni_metal_sp.thumb.png
HAXPES spectra of Ni Sputtered
Dataset
Collection
MDR HAXPES DB
Creator
Industrial Application and Partnership Division, JASRI (author) (Search by this author)
Keyword
BL46XU, HAXPES, SPring-8, collection - MDR HAXPES DB, Ni Sputtered
Date published
2021-10-18
Updated at
2022-10-03 02:00:59 +0900
Ca2Fe2O5.thumb.png
XAFS spectrum of Calcium ferrite
Dataset
Collection
MDR XAFS DB
Creator
Masashi Ishii (editor) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Industrial Application and Partnership Division (author) (Search by this author)
Japan Synchrotron Radiation Research Institute
Keyword
collection - MDR XAFS DB, XAFS, SPring-8, BL14B2, Si(111), Ca2Fe2O5, Fe K-edge, Oxide_ate, Calcium ferrite, Oxide
Date published
2021-07-21
Updated at
2025-05-02 21:53:14 +0900