- MDR phonon calculation database(10034)
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- Thermophysical Property Original Datasets(267)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
- FGMs Database(64)
- HAXPES spectra for elemental solids(38)
- MDR HAXPES DB(37)
- READS: Database of Promising Adsorbents for Decontamination of Radioactive Substances(10)
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Local- and Intermediate-Range Atomic Structures of (Ga 2 S 3 ) 0.25 (GeS 2 ) 0.75 Glass: Complementary Use of X-Rays and Neutrons
- Dataset
- Creator
-
;Shinya Hosokawa (author) (Search by this author);Yohei Onodera (author) (Search by this author);László Pusztai (author) (Search by this author);Jens Rüdiger Stellhorn (author) (Search by this author);Hiroo Tajiri (author) (Search by this author);Kazutaka Ikeda (author) (Search by this author)Toshiya Otomo (author) (Search by this author)
- Keyword
- Neutron diffraction, Anomalous X-ray scattering, Reverse Monte Carlo modeling, Glass structure
- Date published
- 2026-06-12
- Updated at
- 2026-06-17 10:24:46 +0900
First‑Principles Optical Dielectric Properties of NiAl (Space Group 221)
- Dataset
- Creator
-
Thien Duc Ngo (author) (Search by this author)Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
;
;Hai Dang Tran (author) (Search by this author)Research Center for Materials Nanoarchitectonics, National Institute for Materials Science;Toan Phuoc Tran (author) (Search by this author)Research Center for Materials Nanoarchitectonics, National Institute for Materials Science;Hiroshi Harada (author) (Search by this author)National Institute for Materials ScienceTadaaki Nagao (author) (Search by this author)Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
- Keyword
- high-temperature superalloys, intermetallics, nickel–aluminum, thermal emitters, thermophotonics
- Date published
- 2025-03-11
- Updated at
- 2026-06-12 08:30:20 +0900
Evaluation of spin mixing conductance in Co2FeGa0.5Ge0.5/Pt bilayer and the effect of ultrathin Cu, Ni, Ru, Ta, or Cr insertion layers
- Dataset
- Creator
-
;Madhav Mohan Bhat (author) (Search by this author)Research Center for Magnetic and Spintronic Materials, National Institute for Materials ScienceHirofumi Suto (author) (Search by this author)Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
;
;Taisuke T. Sasaki (author) (Search by this author)Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science;Alagarsamy Perumal (author) (Search by this author)Indian Institute of Technology (IIT) Guwahati;Ananthakrishnan Srinivasan (author) (Search by this author)Indian Institute of Technology (IIT) GuwahatiYuya Sakuraba (author) (Search by this author)Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
- Keyword
- Spin pumping, Magnetization dynamics, Spin current, Ferromagnetic resonance, Half-metals, Heusler alloy, Magnetic thin films
- Date published
- Updated at
- 2026-04-30 14:44:02 +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)Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
;
;Stefano Battaglia (author) (Search by this author)Department of Chemistry, University of Zurich (UZH)Jürg Hutter (author) (Search by this author)Department of Chemistry, University of Zurich (UZH)
- Keyword
- Variational Monte Carlo, Atomic forces, rMD17
- Date published
- Updated at
- 2026-01-28 08:30:04 +0900
Hydrogen Equation of State with SCAN-VV10
- Dataset
- Creator
-
;Cesare Cozza (author) (Search by this author)Department of Astrophysics, University of ZurichKousuke Nakano (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science (NIMS)
;
;Saburo Howard (author) (Search by this author)Department of Astrophysics, University of Zurich;Hao Xie (author) (Search by this author)Department of Astrophysics, University of Zurich;Ravit Helled (author) (Search by this author)Department of Astrophysics, University of ZurichGuglielmo Mazzola (author) (Search by this author)Department of Astrophysics, University of Zurich
- Keyword
- Hydrogen, Equation of State, DFT, SCAN-VV10
- Date published
- Updated at
- 2026-01-20 08:34:18 +0900
First-principles lattice thermal conductivity calculation for NaBO2 / R-3c (167) / materials id 3889
- Dataset
- Collection
- MDR lattice thermal conductivity calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Lattice thermal conductivity, NaBO2
- Date published
- Updated at
- 2026-01-24 12:34:49 +0900
First-principles lattice thermal conductivity calculation for NaLaS2 / I4_1/amd (141) / materials id 675230
- Dataset
- Collection
- MDR lattice thermal conductivity calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Lattice thermal conductivity, NaLaS2
- Date published
- Updated at
- 2026-01-24 12:34:39 +0900
First-principles lattice thermal conductivity calculation for Cs4Pb9 / P2_1/c (14) / materials id 574070
- Dataset
- Collection
- MDR lattice thermal conductivity calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Lattice thermal conductivity, Cs4Pb9
- Date published
- Updated at
- 2026-01-24 12:34:30 +0900
First-principles lattice thermal conductivity calculation for LiNdSe2 / I4_1/amd (141) / materials id 37605
- Dataset
- Collection
- MDR lattice thermal conductivity calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Lattice thermal conductivity, LiNdSe2
- Date published
- Updated at
- 2026-01-24 12:34:24 +0900
First-principles lattice thermal conductivity calculation for NdTeF / P4/nmm (129) / materials id 12621
- Dataset
- Collection
- MDR lattice thermal conductivity calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)Center for Basic Research on Materials, National Institute for Materials Science
- Keyword
- Lattice thermal conductivity, NdTeF
- Date published
- Updated at
- 2026-01-24 12:34:13 +0900