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Article and Dataset
Collection
MDR XAFS DB(1612)
MDR SuperCon Datasheet(4)
PoLyInfo Knowledge Collection(3)
Resource type
Dataset(1619)
Other(2)
Journal article(1)
Software(1)
Keyword
XAFS (1612)
collection - MDR XAFS DB (1612)
BL14B2 (1589)
SPring-8 (1589)
Si(111) (969)
Si(311) (643)
Oxide (242)
Oxide_ate (185)
Alloy (160)
Chloride (160)
(more)
License
Creative Commons BY Attribution 4.0 International (1597)
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International (23)
http://creativecommons.org/publicdomain/zero/1.0/ (1)
http://opensource.org/licenses/MIT (1)
File type
application/octet-stream (1623)
application/json (1616)
image/png (1614)
text/tab-separated-values (1614)
text/plain (1594)
application/xml (1581)
application/pdf (4)
application/zip (3)
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet (2)
image/tiff (1)
Chemical composition
Barium tungstate (11)
SUS316L (10)
Silver(I) tungstate (9)
Cobalt tungstate (9)
Copper tungstate (9)
Nickel tungstate (9)
Zinc tungstate (9)
Iron tungstate (8)
Erbium sulfide (7)
Erbium(III) nitrate pentahydrate (7)
Analysis field
spectroscopy (1612)
Measurement method
x-ray absorption spectroscopy (1612)
scanning transmission electron microscopy (1)
Material type
Oxide (230)
Chloride (160)
Transition metal alloy (85)
Sulfide (79)
Pure metal (72)
Fluoride (68)
Metalloid alloy (67)
Bromide (65)
Tungstate (64)
Nitrate (61)
Structural feature for specimen
local structure (1612)
File type: application/octet-stream
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1623 records found.
Ptychographical reconstruction code by Wigner Distribution Deconvolution (WDD)
Software
Creator
Nakazawa Katsuaki
(author) (
Search by this author
)
https://orcid.org/0000-0002-6056-5615
ICYS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Nakazawa Katsuaki
;
Mitsuishi Kazutaka
(author) (
Search by this author
)
https://orcid.org/0000-0002-9361-4057
Research Center for Advanced Measurement and Characterization, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Mitsuishi Kazutaka
Keyword
ptychography
,
4DSTEM
,
electron microscopy
,
Wigner distribution deconvolution
,
aberration correction
Date published
2022-11-30
Updated at
2023-02-03 17:43:11 +0900
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
Journal article
Creator
Toshiyuki Koyama
(author) (
Search by this author
)
https://orcid.org/0000-0001-7424-4858
(unauthenticated)
Toshiyuki Koyama
;
Yusuke Matsuoka
(author) (
Search by this author
)
https://orcid.org/0000-0001-5300-1726
NIMS Researchers Directory SAMURAI
Yusuke Matsuoka
;
Akimitsu Ishii
(author) (
Search by this author
)
https://orcid.org/0000-0002-9261-4047
NIMS Researchers Directory SAMURAI
Akimitsu Ishii
Keyword
generative AI
,
LLM
,
LangGraph
,
Gibbs energy
,
Phase-field method
,
Jarzynski equality
Date published
2026-12-31
Updated at
2026-02-08 08:30:08 +0900
MDR SuperCon Datasheet Readme
Other
Collection
MDR SuperCon Datasheet
Creator
Materials Database Group
(editor) (
Search by this author
)
National Institute for Materials Science
Materials Database Group
Keyword
SuperCon
,
Superconductors
,
Oxide
,
Metallic
,
Organic
,
Readme
Date published
Updated at
2023-12-25 00:30:37 +0900
MDR SuperCon Datasheet Readme Ver.2.0
Other
Collection
MDR SuperCon Datasheet
Creator
Masashi Ishii
(editor) (
Search by this author
)
https://orcid.org/0000-0003-0357-2832
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masashi Ishii
Keyword
SuperCon
,
Superconductors
,
Oxide
,
Metallic
,
Organic
,
Readme
Date published
Updated at
2024-05-14 16:30:22 +0900
PoLyInfo Ontology Version 1.2
Dataset
Collection
PoLyInfo Knowledge Collection
Creator
Masashi Ishii
(author) (
Search by this author
)
https://orcid.org/0000-0003-0357-2832
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masashi Ishii
;
Koichi Sakamoto
(author) (
Search by this author
)
National Institute for Materials Science
Koichi Sakamoto
Keyword
Polymer chemistry knowledge
,
PoLyInfo
,
Ontology
,
BFO
,
collection - PoLyInfo Knowledge
Date published
Updated at
2025-05-03 08:30:23 +0900
PoLyInfo Ontology Version 1.1
Dataset
Collection
PoLyInfo Knowledge Collection
Creator
Masashi Ishii
(author) (
Search by this author
)
https://orcid.org/0000-0003-0357-2832
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masashi Ishii
;
Koichi Sakamoto
(author) (
Search by this author
)
National Institute for Materials Science
Koichi Sakamoto
Keyword
Polymer chemistry knowledge
,
PoLyInfo
,
Ontology
,
BFO
,
collection - PoLyInfo Knowledge
Date published
Updated at
2025-05-03 08:30:14 +0900
PoLyInfo Ontology Version 1.0
Dataset
Collection
PoLyInfo Knowledge Collection
Creator
Masashi Ishii
(author) (
Search by this author
)
https://orcid.org/0000-0003-0357-2832
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masashi Ishii
;
Koichi Sakamoto
(author) (
Search by this author
)
National Institute for Materials Science
Koichi Sakamoto
Keyword
Polymer chemistry knowledge
,
PoLyInfo
,
Ontology
,
BFO
,
collection - PoLyInfo Knowledge
Date published
Updated at
2024-03-26 10:19:11 +0900
MDR SuperCon Datasheet Ver.240322
Dataset
Collection
MDR SuperCon Datasheet
Creator
Center for Basic Research on Materials
(editor) (
Search by this author
)
National Institute for Materials Science
Center for Basic Research on Materials
Keyword
SuperCon
,
Superconductors
,
Oxide
,
Metallic
,
Organic
,
Tc
Date published
Updated at
2024-05-14 16:30:16 +0900
MDR SuperCon Datasheet Ver.220808
Dataset
Collection
MDR SuperCon Datasheet
Creator
Materials Database Group
(editor) (
Search by this author
)
National Institute for Materials Science
Materials Database Group
Keyword
SuperCon
,
Superconductors
,
Oxide
,
Metallic
,
Organic
,
Tc
Date published
Updated at
2023-12-25 00:30:40 +0900
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
Dataset
Creator
Kosuke Nakano
(author) (
Search by this author
)
https://orcid.org/0000-0001-7756-4355
Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
NIMS Researchers Directory SAMURAI
Kosuke Nakano
;
Stefano Battaglia
(author) (
Search by this author
)
Department of Chemistry, University of Zurich (UZH)
Stefano Battaglia
;
Jürg Hutter
(author) (
Search by this author
)
Department of Chemistry, University of Zurich (UZH)
Jürg Hutter
Keyword
Variational Monte Carlo
,
Atomic forces
,
rMD17
Date published
Updated at
2026-01-28 08:30:04 +0900
Keyword
XAFS
(1612)
collection - MDR XAFS DB
(1612)
BL14B2
(1589)
SPring-8
(1589)
Si(111)
(969)
Si(311)
(643)
Oxide
(242)
Oxide_ate
(185)
Alloy
(160)
Chloride
(160)
Ni K-edge
(90)
Transition metal alloy
(85)
Fe K-edge
(83)
W L21-edge
(81)
Sulfide
(79)
Pure metal
(74)
Fluoride
(68)
Metalloid alloy
(67)
Bromide
(65)
Tungstate
(64)
Co K-edge
(63)
Zn K-edge
(62)
Nitrate
(61)
Ag K-edge
(58)
Cu K-edge
(58)
Sulfate
(56)
Zr K-edge
(48)
Boride
(47)
Ba L21-edge
(46)
Mo K-edge
(46)
Hydroxide
(42)
In K-edge
(42)
W L3-edge
(42)
Silicide
(41)
La L21-edge
(40)
Sn K-edge
(40)
Iodide
(39)
Nb K-edge
(38)
Nitride
(38)
Ta L21-edge
(36)
Oxalate
(34)
Molybdate
(32)
Organometal
(32)
Cr K-edge
(31)
Sb K-edge
(31)
Mn K-edge
(30)
Carbide
(29)
Carbonate
(29)
Er L21-edge
(28)
Titanate
(27)
Ce L21-edge
(26)
Hydride
(26)
Cs L21-edge
(24)
Ru K-edge
(24)
Ba K-edge
(23)
Ba L3-edge
(23)
Photon Factory
(23)
Ti K-edge
(23)
Pd K-edge
(22)
La K-edge
(20)
La L3-edge
(20)
W K-edge
(20)
Yb L21-edge
(20)
Eu L21-edge
(18)
Ta L3-edge
(18)
Acetate
(17)
Acetylacetonate
(17)
BL-9C
(17)
Phosphorate
(17)
Au L1-edge
(16)
Au L2-edge
(16)
Au L3-edge
(16)
Ir L21-edge
(16)
Pt L1-edge
(16)
Pt L2-edge
(16)
Pt L3-edge
(16)
Rh K-edge
(16)
Tb L21-edge
(16)
V K-edge
(15)
Er L3-edge
(14)
Phosphate
(14)
Tantalum boride
(14)
Tantalum nitride
(14)
Tungsten carbide
(14)
Zirconate
(14)
Ce K-edge
(13)
Ce L3-edge
(13)
Chlorate
(12)
Cs K-edge
(12)
Cs L3-edge
(12)
BaWO4
(11)
Barium tungstate
(11)
Metal acid
(11)
Niobate
(10)
Phthalocyanine
(10)
SUS316L
(10)
Yb L3-edge
(10)
Ag2WO4
(9)
CoWO4
(9)
Cobalt tungstate
(9)
Copper tungstate
(9)
CuWO4
(9)
Eu K-edge
(9)
Eu L3-edge
(9)
Nd K-edge
(9)
Nd L1-edge
(9)
Nd L2-edge
(9)
Nd L3-edge
(9)
NiWO4
(9)
Nickel tungstate
(9)
Silver(I) tungstate
(9)
Ta K-edge
(9)
Vanadate
(9)
Zinc tungstate
(9)
ZnWO4
(9)
Chromate
(8)
FeWO4
(8)
Hexafluoride
(8)
Ir L3-edge
(8)
Iron tungstate
(8)
Lanthanoid alloy
(8)
Tb K-edge
(8)
Tb L3-edge
(8)
Zinc antimonide
(8)
Ditungsten carbide
(7)
Er K-edge
(7)
Er(NO3)3_5H2O
(7)
Er2(C2O4)3_10H2O
(7)
Er2O3
(7)
Er2S3
(7)
ErCl3_6H2O
(7)
ErF3
(7)
ErH2
(7)
Erbium chloride Hydrous
(7)
Erbium fluoride, anhydrous
(7)
Erbium hydride
(7)
Erbium nitrate Hydrous
(7)
Erbium oxalate Hydrous
(7)
Erbium oxalate decahydrate
(7)
Erbium oxide
(7)
Erbium sulfide
(7)
Erbium(III) chloride hexahydrate
(7)
Erbium(III) nitrate pentahydrate
(7)
H2WO4
(7)
Manganese tungstate
(7)
MnWO4
(7)
Ta
(7)
Ta-foil
(7)
Ta2O5
(7)
Ta3N5
(7)
TaB
(7)
TaB2
(7)
TaC
(7)
TaN
(7)
TaS2
(7)
TaSi2
(7)
Tantalum
(7)
Tantalum carbide
(7)
Tantalum diboride
(7)
Tantalum monoboride
(7)
Tantalum mononitride
(7)
Tantalum silicide
(7)
Tantalum sulfide
(7)
Tantalum(V) oxide
(7)
Tungsten
(7)
Tungsten boride
(7)
Tungsten carbonyl
(7)
Tungsten selenide
(7)
Tungsten silicide
(7)
Tungsten sulfide
(7)
Tungsten telluride
(7)
Tungsten(IV) oxide
(7)
Tungsten(VI) oxide
(7)
Tungstic acid
(7)
W
(7)
W(CO)6
(7)
W-foil
(7)
W2C
(7)
WB
(7)
WC
(7)
WO2
(7)
WO3
(7)
WS2
(7)
WSe2
(7)
WSi2
(7)
WTe2
(7)
Yb(NO3)3_xH2O
(7)
Yb2O3
(7)
YbBr3
(7)
YbCl3_6H2O
(7)
YbF3
(7)
Ytterbium bromide, anhydrous
(7)
Ytterbium chloride Hydrous
(7)
Ytterbium chloride hexahydrate
(7)
Ytterbium fluoride, anhydrous
(7)
Ytterbium nitrate Hydrous
(7)
Ytterbium nitrate hydrous
(7)
Ytterbium oxide
(7)
approx. Er2S3
(7)
approx. TaS2
(7)
RDE metadata def
RDE invoice schema
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