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MDR phonon calculation database(788)
MDR lattice thermal conductivity calculation database(357)
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https://matvoc.nims.go.jp/entity/Q21 (1)
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4119 records found.
LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
Journal article
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
;
Hiroyuki Hayashi
(author) (
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)
Kyoto University
Hiroyuki Hayashi
;
Terumasa Tadano
(author) (
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)
https://orcid.org/0000-0002-8132-2161
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Satoshi Tsutsui
(author) (
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)
Japan Synchrotron Radiation Research Institute
Satoshi Tsutsui
;
Isao Tanaka
(author) (
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)
Kyoto University
Isao Tanaka
Keyword
Phonon calculation
,
IXS measurment
Date published
2022-09-07
Updated at
2024-01-05 22:12:13 +0900
First-principles lattice thermal conductivity calculation for NaSn2Cl5 / Pnnm (58) / materials id 28947
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaSn2Cl5
Date published
Updated at
2026-01-24 12:34:02 +0900
First-principles lattice thermal conductivity calculation for BaSbClO2 / Cmcm (63) / materials id 545500
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
BaSbClO2
Date published
Updated at
2026-01-24 12:29:00 +0900
First-principles lattice thermal conductivity calculation for NaScCl4 / Pbcn (60) / materials id 29432
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaScCl4
Date published
Updated at
2026-01-24 11:03:42 +0900
First-principles lattice thermal conductivity calculation for Cd3AsCl3 / Pnma (62) / materials id 27899
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
Cd3AsCl3
Date published
Updated at
2026-01-24 14:59:57 +0900
First-principles lattice thermal conductivity calculation for LaSClO4 / P2_1/c (14) / materials id 559820
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
LaSClO4
Date published
Updated at
2026-01-24 13:57:24 +0900
First-principles lattice thermal conductivity calculation for Nd5As4(ClO4)3 / P2/c (13) / materials id 556908
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
Nd5As4(ClO4)3
Date published
Updated at
2026-01-24 11:48:14 +0900
First-principles lattice thermal conductivity calculation for Ca2AsClO4 / Pbcm (57) / materials id 560595
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
Ca2AsClO4
Date published
Updated at
2026-01-24 15:27:56 +0900
First-principles lattice thermal conductivity calculation for InHg6As4Cl7 / Pa-3 (205) / materials id 571341
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
InHg6As4Cl7
Date published
Updated at
2026-01-24 15:17:23 +0900
First-principles lattice thermal conductivity calculation for Ca3AsCl3 / Pm-3m (221) / materials id 28069
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
Ca3AsCl3
Date published
Updated at
2026-01-24 14:54:50 +0900
Keyword
Phonon
(801)
Lattice thermal conductivity
(358)
Pnma (62)
(86)
Fm-3m (225)
(69)
P2_1/c (14)
(58)
functionally graded materials
(58)
thermoelectric
(55)
C2/m (12)
(43)
graphene
(38)
C2/c (15)
(35)
machine learning
(34)
2D materials
(32)
P6_3/m (176)
(28)
P4/nmm (129)
(27)
Cmcm (63)
(26)
P2_1/m (11)
(24)
XAFS
(24)
collection - MDR XAFS DB
(24)
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(23)
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(22)
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(21)
R-3m (166)
(21)
hexagonal boron nitride
(21)
MoS2
(19)
X-ray diffraction
(19)
nanomechanical sensors
(18)
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(18)
Ga2O3
(17)
IMFP
(17)
R-3c (167)
(15)
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(15)
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(15)
scanning tunneling microscopy
(15)
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(14)
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(14)
density functional theory
(14)
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(14)
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(14)
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(13)
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(13)
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(13)
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(13)
REPM2025
(13)
materials informatics
(13)
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(13)
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(13)
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(12)
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(12)
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(12)
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(12)
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(12)
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(12)
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(11)
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(11)
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(11)
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(11)
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(11)
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(11)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(8)
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(8)
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(8)
Nb3Sn
(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(7)
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(7)
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(7)
FePt
(7)
Hexagonal boron nitride
(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
Si(111)
(7)
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(7)
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(7)
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(7)
high-pressure synthesis
(7)
inelastic mean free path
(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
3D printing
(6)
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(6)
BaCl2
(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
Rb3ClO
(6)
Structure
(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
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(6)
β-Ga2O3
(6)
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(5)
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(5)
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(5)
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(5)
Cu
(5)
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(5)
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(5)
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(5)
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(5)
Imma (74)
(5)
Landau levels
(5)
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(5)
Magnetoresistance
(5)
Membrane-type Surface stress Sensor (MSS)
(5)
RDE metadata def
RDE invoice schema
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