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CrySPY: a crystal structure prediction tool accelerated by machine learning
Description/Abstract:
We have developed an open-source software called CrySPY, which is a crystal structure prediction tool written in Python 3, ...
Keyword:
evolutionary algorithm
,
Bayesian optimization
,
LAQA
,
crystal structure prediction
, and
first-principles calculations
Resource Type:
Article
Author:
Tomoki Yamashita
,
Shinichi Kanehira
,
Nobuya Sato
,
Hiori Kino
,
Kei Terayama
,
Hikaru Sawahata
,
Takumi Sato
,
Futoshi Utsuno
,
Koji Tsuda
,
Takashi Miyake
, and
Tamio Oguchi
Date Uploaded:
10/02/2023
Date Modified:
02/04/2024
Function Decomposition Tree with Causality-First Perspective and Systematic Description of Problems in Materials Informatics
Description/Abstract:
As interdisciplinary science is flourishing because of materials informatics and additional factors; a systematic way is required for exp...
Keyword:
functional decomposition
,
knowledge sharing
,
materials informatics
, and
ontology
Resource Type:
Report
Author:
Hiori Kino
,
Hieu Chi Dam
,
Takashi Miyake
, and
Riichiro Mizoguchi
Date Uploaded:
08/02/2023
Date Modified:
22/03/2024
Important Descriptors and Descriptor Groups of Curie Temperatures of Rare-earth Transition-metal Binary Alloys
Description/Abstract:
We analyze Curie temperatures of rare-earth transition metal binary alloys with machine learning method. In order to select important de...
Keyword:
Curie temperature
,
binary rare-earth transition metal
,
descriptor importance
,
exhaustive search
,
hierarchical clustering
, and
subgroup relevance analysis
Resource Type:
Article
Author:
Hieu Chi Dam
,
Viet Cuong Nguyen
,
Tien Lam Pham
,
Anh Tuan Nguyen
,
Kiyoyuki Terakura
,
Takashi Miyake
, and
Hiori Kino
Date Uploaded:
10/02/2023
Date Modified:
20/03/2024
Materials Data Repository metadata schema and cross-database federation
Description/Abstract:
The Materials Data Repository (MDR) was released in 2020 as one of the services of the DICE materials data platform. Works deposited to M...
Keyword:
FAIR
,
RDF
,
data repository
,
materials data repository
, and
metadata
Resource Type:
Presentation
Author:
松田 朝彦
,
田邉 浩介
,
石井 真史
, and
門平 卓也
Date Uploaded:
06/12/2023
Liquid phase penetration sintering of garnet-type solid electrolyte LLZTO
Description/Abstract:
It is important to develop processes for manufacturing all-solid-state batteries to form ionic conductive interfaces at low temperatures....
Keyword:
Garnet
,
Liquid phase
,
Low-temperature sintering
, and
Solid electrolyte
Resource Type:
Article
Author:
吉田 尚生
,
桑田 直明
,
長谷川 源
, and
高田 和典
Journal:
SOLID STATE IONICS
Date Uploaded:
28/11/2023
Quantitative estimation of coercive field in a ferromagnetic grain using field sweep simulation
Description/Abstract:
High coercivity is an important property of permanent magnets for application in energy conversion devices. The Nd magnet, Nd2Fe14B, is a...
Keyword:
estimation of coercivity
Resource Type:
Article
Author:
Masamichi Nishino
and
Seiji Miyashita
Journal:
PHYSICAL REVIEW B
Date Uploaded:
17/10/2023
Evidence-based data mining method to reveal similarities between materials based on physical mechanisms
Description/Abstract:
Measuring the similarity between materials is essential for estimating their properties and revealing the associated physical mechanisms....
Keyword:
Curie temperature
,
Dempster–Shafer theory
,
evidence theory
,
magnetization
,
mixture of experts
,
physical mechanism
,
similarity evidence
,
transition rare-earth metal binary allloys
, and
visualization
Resource Type:
Article
Author:
Minh-Quyet Ha
,
Duong-Nguyen Nguyen
,
Viet-Cuong Nguyen
,
Hiori Kino
,
Yasunobu Ando
,
Takashi Miyake
,
Thierry Denœux
,
Van-Nam Huynh
, and
Hieu-Chi Dam
Date Uploaded:
08/02/2023
Structuring Superconductor Data with Ontology: Reproducing Historical Datasets as Knowledge
Description/Abstract:
Applying historical human-readable databases to recent data-driven science is a natural concept. However, this cannot be realized by simp...
Keyword:
RDF
,
SuperCon
,
knowledge base
,
ontology
, and
superconducting material
Resource Type:
Article
Author:
Masashi Ishii
and
Koichi Sakamoto
Journal:
Science and Technology of Advanced Materials: Methods
Date Uploaded:
04/07/2023
Date Modified:
04/07/2023
Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915
Description/Abstract:
Ab-initio phonon calculation for BaHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaHgO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for K2BiF5 / Pnma (62) / materials id 561290
Description/Abstract:
Ab-initio phonon calculation for K2BiF5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
K2BiF5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933
Description/Abstract:
Ab-initio phonon calculation for AlH3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlH3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) / materials id 13190
Description/Abstract:
Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
KRb2GaF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) / materials id 6231
Description/Abstract:
Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2ErSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for CaTeO4 / Pbcn (60) / materials id 12221
Description/Abstract:
Ab-initio phonon calculation for CaTeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaTeO4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) / materials id 616218
Description/Abstract:
Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cd(In2I3)2
,
P4/mnc (128)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for AgCl / P2_1/m (11) / materials id 570687
Description/Abstract:
Ab-initio phonon calculation for AgCl / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AgCl
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) / materials id 643009
Description/Abstract:
Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
SrMgH4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) / materials id 769390
Description/Abstract:
Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Ca3Ta2O8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for CsAuF4 / Immm (71) / materials id 572767
Description/Abstract:
Ab-initio phonon calculation for CsAuF4 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CsAuF4
,
Immm (71)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HoIO / P4/nmm (129) / materials id 753173
Description/Abstract:
Ab-initio phonon calculation for HoIO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
HoIO
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Be4TeO7 / F-43m (216) / materials id 27608
Description/Abstract:
Ab-initio phonon calculation for Be4TeO7 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Be4TeO7
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for GaCuI4 / I-4 (82) / materials id 29403
Description/Abstract:
Ab-initio phonon calculation for GaCuI4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaCuI4
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) / materials id 567594
Description/Abstract:
Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cs2HgI4
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SbO2 / Pnna (52) / materials id 560098
Description/Abstract:
Ab-initio phonon calculation for SbO2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnna (52)
, and
SbO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570410
Description/Abstract:
Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CdI2
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) / materials id 568001
Description/Abstract:
Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
AlHg2SbCl4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) / materials id 18163
Description/Abstract:
Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cc (9)
,
Cd4GeSe6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153
Description/Abstract:
Ab-initio phonon calculation for XeF3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
XeF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Yb11GaSb9 / Iba2 (45) / materials id 569811
Description/Abstract:
Ab-initio phonon calculation for Yb11GaSb9 / Iba2 (45) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Iba2 (45)
,
Phonon
, and
Yb11GaSb9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) / materials id 22961
Description/Abstract:
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Li2ZnCl4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy(HO)3 / P6_3/m (176) / materials id 24074
Description/Abstract:
Ab-initio phonon calculation for Dy(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy(HO)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3Lu2Zn5O11 / F-43m (216) / materials id 554066
Description/Abstract:
Ab-initio phonon calculation for Ba3Lu2Zn5O11 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Lu2Zn5O11
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KY2CuS4 / Cmcm (63) / materials id 11602
Description/Abstract:
Ab-initio phonon calculation for KY2CuS4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
KY2CuS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAuO2 / Pmmm (47) / materials id 27418
Description/Abstract:
Ab-initio phonon calculation for KAuO2 / Pmmm (47) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KAuO2
,
Phonon
, and
Pmmm (47)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) / materials id 567928
Description/Abstract:
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsBi3Se5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) / materials id 561179
Description/Abstract:
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2CuIO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) / materials id 7198
Description/Abstract:
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrPSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) / materials id 531820
Description/Abstract:
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li4Ti7O16
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) / materials id 762279
Description/Abstract:
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K2Ti8O17
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) / materials id 557529
Description/Abstract:
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Na5P3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) / materials id 556231
Description/Abstract:
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
In2GaBiS6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Description/Abstract:
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
MgTi2(PO5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) / materials id 6032
Description/Abstract:
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
SrSi2(BO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TlCl / Fm-3m (225) / materials id 569639
Description/Abstract:
Ab-initio phonon calculation for TlCl / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlCl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) / materials id 14951
Description/Abstract:
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
Rb3AlO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) / materials id 24227
Description/Abstract:
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fm-3m (225)
,
H8Pt(NCl3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) / materials id 541707
Description/Abstract:
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
K6Na3AlSb4
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ta2Pt3S8 / Pbam (55) / materials id 560046
Description/Abstract:
Ab-initio phonon calculation for Ta2Pt3S8 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbam (55)
,
Phonon
, and
Ta2Pt3S8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2LiNF6 / Fm-3m (225) / materials id 989504
Description/Abstract:
Ab-initio phonon calculation for Na2LiNF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Na2LiNF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl2Sn2S5 / C2/c (15) / materials id 7499
Description/Abstract:
Ab-initio phonon calculation for Tl2Sn2S5 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Phonon
, and
Tl2Sn2S5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
10,034
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MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
1
Keyword
Phonon
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P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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Keywords
»
Language
English
8
Publisher
NIMS
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National Institute for Materials Science
5
American Physical Society (APS)
1
Elsevier
1
Informa UK Limited
1
Resource type
Dataset
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Article
6
Presentation
1
Report
1
Visibility
open
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
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In Copyright
2
Creative Commons BY-NC Attribution-NonCommercial 4.0 International
1
Data origin
simulation
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Author
Atsushi Togo
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Hiori Kino
4
Takashi Miyake
4
Hieu Chi Dam
2
Anh Tuan Nguyen
1
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Authors
»
Funder
MEXT
[remove]
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JST
3
JSPS KAKENHI
1
JSPS KAKENHI
1
JST
1
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Funders
»
Software
VASP
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phonopy
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spglib
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Journal
PHYSICAL REVIEW B
1
SOLID STATE IONICS
1
Science and Technology of Advanced Materials: Methods
1