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Collection
Resource type
Journal article(5)
Dataset(1)
Keyword
Au4Al-type structure (1)
BaRhSi2 (1)
CompES-X (1)
First-principles calculation (1)
First-principles calculations (1)
High-pressure synthesis (1)
Multiband metallicity (1)
Noncentrosymmetric materials (1)
Oxygen-stabilized alloys (1)
Solid electrolyte (1)
(more)
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International (2)
In Copyright (2)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (1)
http://opensource.org/licenses/MIT (1)
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application/pdf (5)
application/gzip (1)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (1)
6 records found.
Noncentrosymmetric superconductor
BaRh
Si
2
Journal article
Creator
Masaaki Isobe
(author) (
Search by this author
)
https://orcid.org/0000-0002-3201-8489
NIMS Researchers Directory SAMURAI
Masaaki Isobe
;
Koji Kimoto
(author) (
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)
https://orcid.org/0000-0002-3927-0492
NIMS Researchers Directory SAMURAI
Koji Kimoto
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
Masao Arai
;
Taras Kolodiazhnyi
(author) (
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)
https://orcid.org/0000-0002-9630-9461
(unauthenticated)
Taras Kolodiazhnyi
;
Eiji Takayama-Muromachi
(author) (
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)
https://orcid.org/0000-0001-7819-4317
NIMS Researchers Directory SAMURAI
Eiji Takayama-Muromachi
Keyword
Superconductivity
,
Superconductor
,
BaRhSi2
,
High-pressure synthesis
Date published
2026-04-27
Updated at
2026-05-01 08:49:51 +0900
First-principles study on electronic structure and optical properties of Mn-doped Ba<sub>3</sub>V<sub>2</sub>O<sub>8</sub>
Journal article
Creator
Hiroki Kojima
(author) (
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)
Hiroki Kojima
;
Taiyo Inada
(author) (
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)
Taiyo Inada
;
Shigenori Matsushima
(author) (
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)
Shigenori Matsushima
;
Junko Ishii
(author) (
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)
Junko Ishii
;
Kenji Obata
(author) (
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)
Kenji Obata
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masao Arai
Keyword
pigment
,
first principles calculation
,
electronic structure
,
optical property
Date published
2026-04-01
Updated at
2026-04-10 14:19:39 +0900
Electronic structure and chemical bonding in semiconducting 3d transition-metal silicides CrSi
2
, Mn
4
Si
7
, and
β
-FeSi
2
Journal article
Creator
Motoharu Imai
(author) (
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)
https://orcid.org/0000-0002-5848-113X
NIMS Researchers Directory SAMURAI
Motoharu Imai
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
Masao Arai
Keyword
silicides
,
semiconductor
,
first-principles calculation
,
chemical bonding
Date published
2025-06-01
Updated at
2025-07-07 13:24:13 +0900
Periodic table-based compositional descriptors for accelerating electrochemical material discovery: Li-ion conductors and oxygen evolution electrocatalysts
Journal article
Creator
Yen-Ju Wu
(author) (
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)
https://orcid.org/0000-0003-2647-3407
NIMS Researchers Directory SAMURAI
Yen-Ju Wu
;
Yibin Xu
(author) (
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)
https://orcid.org/0000-0001-8600-8748
NIMS Researchers Directory SAMURAI
Yibin Xu
;
Lei Fang
(author) (
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)
https://orcid.org/0000-0003-4706-0521
NIMS Researchers Directory SAMURAI
Lei Fang
;
Wenqin Peng
(author) (
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)
Wenqin Peng
;
Ken Sakaushi
(author) (
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)
https://orcid.org/0000-0003-4797-9087
NIMS Researchers Directory SAMURAI
Ken Sakaushi
;
Meiqi Zhang
(author) (
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)
Meiqi Zhang
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
Masao Arai
;
Yukinori Koyama
(author) (
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)
https://orcid.org/0000-0002-7090-4430
NIMS Researchers Directory SAMURAI
Yukinori Koyama
Keyword
Solid electrolyte
,
ionic conductor
,
electrocatalyst
,
energy storage
,
descriptor
Date published
2025-12-31
Updated at
2025-06-18 12:30:21 +0900
Crystal Structure and Physical Properties of Au
4
Al-Type Suboxides in the Ti–Rh–Si–O and Ti–Ir–Si–O Systems
Journal article
Creator
Zhijun Li
(author) (
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)
https://orcid.org/0009-0006-6314-410X
NIMS Researchers Directory SAMURAI
Zhijun Li
;
Xun Kang
(author) (
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)
Xun Kang
;
Xuan Liang
(author) (
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)
https://orcid.org/0000-0002-1062-4103
NIMS Researchers Directory SAMURAI
Xuan Liang
;
Alexei A. Belik
(author) (
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)
https://orcid.org/0000-0001-9031-2355
NIMS Researchers Directory SAMURAI
Alexei A. Belik
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
Masao Arai
;
Kazunari Yamaura
(author) (
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)
https://orcid.org/0000-0003-0390-8244
NIMS Researchers Directory SAMURAI
Kazunari Yamaura
;
Rintaro Oshikiri
(author) (
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)
Rintaro Oshikiri
;
Asuka Ishikawa
(author) (
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)
Asuka Ishikawa
;
Takafumi D. Yamamoto
(author) (
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)
Takafumi D. Yamamoto
;
Shintaro Suzuki
(author) (
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)
Shintaro Suzuki
;
Ryuji Tamura
(author) (
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)
Ryuji Tamura
Keyword
Au4Al-type structure
,
Oxygen-stabilized alloys
,
Noncentrosymmetric materials
,
Multiband metallicity
,
Synchrotron X-ray diffraction
,
Ti3RhSiO and Ti3IrSiO
,
First-principles calculations
Date published
2025-03-17
Updated at
2026-03-05 16:30:21 +0900
TOAST: Template Oriented Atomic Simulation Toolkit
Dataset
Creator
XU, Yibin
(author) (
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)
https://orcid.org/0000-0001-8600-8748
NIMS Researchers Directory SAMURAI
XU, Yibin
;
ARAI, Masao
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
ARAI, Masao
Keyword
CompES-X
,
toolkit
,
First-principles calculation
,
atomic simulation
Date published
2020-11-20
Updated at
2022-10-03 01:26:50 +0900
Keyword
Au4Al-type structure
(1)
BaRhSi2
(1)
CompES-X
(1)
First-principles calculation
(1)
First-principles calculations
(1)
High-pressure synthesis
(1)
Multiband metallicity
(1)
Noncentrosymmetric materials
(1)
Oxygen-stabilized alloys
(1)
Solid electrolyte
(1)
Superconductivity
(1)
Superconductor
(1)
Synchrotron X-ray diffraction
(1)
Ti3RhSiO and Ti3IrSiO
(1)
atomic simulation
(1)
chemical bonding
(1)
descriptor
(1)
electrocatalyst
(1)
electronic structure
(1)
energy storage
(1)
first principles calculation
(1)
first-principles calculation
(1)
ionic conductor
(1)
optical property
(1)
pigment
(1)
semiconductor
(1)
silicides
(1)
toolkit
(1)
RDE metadata def
RDE invoice schema
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