Index Catalog // MDR

Skip to Content

Home
About
Help
Contact
Login

Search MDR

Search Constraints

Start Over

Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Resource type Dataset Remove constraint Resource type: Dataset

« Previous | 2,351 - 2,360 of 12,832 | Next »

relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲

Number of results to display per page

10 per page
20 per page
50 per page
100 per page

View results as:

List Gallery Masonry Slideshow

Search Results

Ab-initio phonon calculation for SiO2 / P4_2/nbc (133) / materials id 559347

Description/Abstract:

Ab-initio phonon calculation for SiO2 / P4_2/nbc (133) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P4_2/nbc (133), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Ba2Zr7O16 / R-3 (148) / materials id 769802

Description/Abstract:

Ab-initio phonon calculation for Ba2Zr7O16 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2Zr7O16, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for ScPO4 / I4_1/amd (141) / materials id 4200

Description/Abstract:

Ab-initio phonon calculation for ScPO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4_1/amd (141), Phonon, and ScPO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Sr4Sn2Se9 / Pbam (55) / materials id 570983

Description/Abstract:

Ab-initio phonon calculation for Sr4Sn2Se9 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Pbam (55), Phonon, and Sr4Sn2Se9

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Ca2PbO4 / Pbam (55) / materials id 21137

Description/Abstract:

Ab-initio phonon calculation for Ca2PbO4 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ca2PbO4, Pbam (55), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Ge2N2O / Cc (9) / materials id 778194

Description/Abstract:

Ab-initio phonon calculation for Ge2N2O / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Cc (9), Ge2N2O, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Te2Mo / P6_3/mmc (194) / materials id 602

Description/Abstract:

Ab-initio phonon calculation for Te2Mo / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P6_3/mmc (194), Phonon, and Te2Mo

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for KGaO2 / Pbca (61) / materials id 4066

Description/Abstract:

Ab-initio phonon calculation for KGaO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

KGaO2, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Sr2TmNbO6 / Pnn2 (34) / materials id 557387

Description/Abstract:

Ab-initio phonon calculation for Sr2TmNbO6 / Pnn2 (34) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Phonon, Pnn2 (34), and Sr2TmNbO6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for NaLiZr(Si2O5)3 / Cmce (64) / materials id 15543

Description/Abstract:

Ab-initio phonon calculation for NaLiZr(Si2O5)3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Cmce (64), NaLiZr(Si2O5)3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

« Previous
Next »
1
2
…
232
233
234
235
236
237
238
239
240
…
1,283
1,284

Limit your search

Type of work

Dataset[remove]12,832

Collection

MDR phonon calculation database10,034
MDR XAFS DB2,263
Thermophysical Property Original Datasets225
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method103
FGMs Database64
more Collections »

Keyword

Phonon10,137
XAFS2,263
collection - MDR XAFS DB2,263
SPring-81,820
BL14B21,757
more Keywords »

Language

English8
Japanese2

Publisher

NIMS10,144
National Institute for Materials Science264
Aichi Synchrotron Radiation Center72
Kyushu Synchrotron Light Research Center24
Royal Society of Chemistry3
more Publishers »

Resource type

Dataset[remove]12,832
Software or Program Code2

Visibility

open12,832

Rights Statement Sim

Creative Commons BY Attribution 4.0 International10,382
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International2,309
In Copyright92
Creative Commons BY-NC Attribution-NonCommercial 2.1 Japan14
Creative Commons BY-NC Attribution-NonCommercial 4.0 International4
more Rights Statement Sims »

Computational methods

density functional theory or electronic structure3
CALPHAD2
machine learning1
statistical mechanics1

Data origin

simulation10,034
experiments2,564
simulations112
other69
experiment27
more Data origins »

Properties addressed

chemical10
mechanical3
thermodynamic -- phase diagram2
electrical -- dielectric constant and spectra1
magnetic -- coercivity1
more Properties addresseds »

Synthesis and processing

forming5
forming -- extrusion1

Characterization methods

spectroscopy -- x-ray absorption spectroscopy2,167
spectroscopy -- x-ray photoelectron spectroscopy39
spectroscopy -- hard x-ray photoelectron spectroscopy24
spectroscopy8
mechanical4
more Characterization methods »

Material/Specimen

Tantalum boride14
Tantalum nitride14
Tungsten carbide14
Barium tungstate11
Cobalt tungstate9
more Material/Specimen »

Material type

Hybrid halide1
bulk metallic glasses1

Date created

20212
20021
20201

Date updated

20136
20223
20121
20211

Date

201416
201110
20025
20191
20201

Creator

TODOROKI, Shin-ichi16
National Institute for Materials Science2

Author

Atsushi Togo10,137
National Institute for Materials Science69
UEDA, Shigenori24
YOSHIKAWA, Hideki9
NAGATA, Takahiro8
more Authors »

Editor

Masashi Ishii225
Materials Database Group1

Operator

PRYTULIAK, Anastasiia1
TODOROKI, Shin-ichi1
TOYOOKA, Yoshiya1

Contact person

Industrial Application and Partnership Division1,757
Industrial Application and Partnership Division, JASRI37
National Institute for Materials Science10

License

http://rightsstatements.org/vocab/InC/1.0/80
https://creativecommons.org/licenses/by/4.0/3
http://opensource.org/licenses/MIT1
https://creativecommons.org/licenses/by-nc-sa/4.0/1

Instrument manufacturer

Japan Synchrotron Radiation Research Institute1,794
Japan Aerospace Exploration Agency225
Photon Factory136
Ritsumeikan SR Center75
Aichi SR72
more Instrument manufacturers »

Instrument model number

CP6L250,CP6L250S1
Crossbeam 1540 EsB FIB/SEM1
EHF-ED50KN-10Ｌ1
TM-BH25-C11

Instrument managing organization

Japan Synchrotron Radiation Research Institute1,794
Ritsumeikan University75
National Institute of Technology and Evaluation2

Instrument managing sub organization

Ritsumeikan SR Center75

Structural feature category

https://matvoc.nims.go.jp/entity/Q686410
http://matvoc.nims.go.jp/entity/Q202225
http://matvoc.nims.go.jp/entity/Q68696

Funder

MEXT10,034
Japan Society for the Promotion of Science (JSPS)1
RIKEN1
文部科学省1

Software

VASP10,137
phonopy10,137
spglib10,137
phono3py103
CASTEP1
more Softwares »

Journal

Physical Chemistry Chemical Physics2
CrystEngComm1
Materials & Design1
Science and Technology of Advanced Materials1
Scripta Materialia1
more Journals »

National Institute for Materials Science

Research Network and Facility Services Division (RNFS)
Materials Data Platform

© 2020–2024 National Institute for Materials Science. Works are available under licenses specified on their pages.

Terms of Use
Privacy Policy
Data Platform DICE
NIMS Digital Library