Calculated crystal structures of formamidinium–lead–chloride–dimethyl sulfoxide and related compounds
- データセット
- 著者
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Noriko Saito (author) (この著者で検索)Research Center for Functional Materials/Electric and Electronic Materials Field/Ceramics Surface and Interface Group
;
Yoshitaka Matsushita (author) (この著者で検索)Research Network and Facility Services Division/Materials Analysis Station
;
Takeo Ohsawa (author) (この著者で検索)Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
;
Hiroyo Segawa (author) (この著者で検索)Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
;
Naoki Ohashi (author) (この著者で検索)Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
- キーワード
- hybrid halide, formamidinium, dimethyl sulfoxide (DMSO), lead halide
- 刊行年月日
- 2022-11-03
- 更新時刻
- 2024-01-05 22:13:14 +0900
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
- データセット
- 著者
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ISHIKAWA, Atsushi (author) (この著者で検索)
;
SODEYAMA, Keitaro (author) (この著者で検索)
;
IGARASHI, Yasuhiko (author) (この著者で検索)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (この著者で検索)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (この著者で検索)
;
OKADA, Masato (author) (この著者で検索)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- キーワード
- quantum chemistry, electrolyte, battery
- 刊行年月日
- 2019-11-18
- 更新時刻
- 2024-01-05 22:13:39 +0900
Liquid electrolyte informatics using an exhaustive search with linear regression
- データセット
- 著者
-
SODEYAMA, Keitaro (author) (この著者で検索)National Institute for Materials Science
;
IGARASHI, Yasuhiko (author) (この著者で検索)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (この著者で検索)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (この著者で検索)National Institute for Materials Science
;
OKADA, Masato (author) (この著者で検索)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- キーワード
- molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
- 刊行年月日
- 2018-06-14
- 更新時刻
- 2024-02-08 17:54:30 +0900
First-principles calculations of optical constants
- データセット
- 著者
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SHINOTSUKA, Hiroshi (author) (この著者で検索)
;
YOSHIKAWA, Hideki (author) (この著者で検索)
;
TANUMA, Shigeo (author) (この著者で検索)
- キーワード
- first-principles calculation, energy loss function, optical constant, compound semiconductor
- 刊行年月日
- 2021-07-06
- 更新時刻
- 2022-10-03 02:03:24 +0900
First-principles lattice thermal conductivity calculation for AlCuAsO5 / P2_1/c (14) / materials id 560271
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, AlCuAsO5
- 刊行年月日
- 更新時刻
- 2026-01-24 16:30:23 +0900
First-principles lattice thermal conductivity calculation for Hg(AsO3)2 / P-31m (162) / materials id 3810
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Hg(AsO3)2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:34:53 +0900
First-principles lattice thermal conductivity calculation for RbSnAsO5 / Pna2_1 (33) / materials id 15108
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, RbSnAsO5
- 刊行年月日
- 更新時刻
- 2026-01-24 12:33:22 +0900
First-principles lattice thermal conductivity calculation for Sm2SO2 / P-3m1 (164) / materials id 5598
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Sm2SO2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:33:33 +0900
First-principles lattice thermal conductivity calculation for NaPr2OsO6 / P2_1/c (14) / materials id 20009
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, NaPr2OsO6
- 刊行年月日
- 更新時刻
- 2026-01-24 12:31:50 +0900
First-principles lattice thermal conductivity calculation for HgAsO3 / P-31m (162) / materials id 30284
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, HgAsO3
- 刊行年月日
- 更新時刻
- 2026-01-24 12:16:01 +0900