Skip to Content
Toggle navigation
Home
About
Help
Contact
Login
Search MDR
Go
Search Constraints
Start Over
Filtering by:
Keyword
TiO2
Remove constraint Keyword: TiO2
Keyword
Phonon
Remove constraint Keyword: Phonon
1
-
6
of
6
Sort by relevance
relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲
Number of results to display per page
10 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 TiO2 / Pbca (61) / materials id 1840
Description/Abstract:
Ab-initio phonon calculation for TiO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for TiO2 / C2/m (12) / materials id 554278
Description/Abstract:
Ab-initio phonon calculation for TiO2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for TiO2 / I4_1/amd (141) / materials id 390
Description/Abstract:
Ab-initio phonon calculation for TiO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4_1/amd (141)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 1439
Description/Abstract:
Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbcn (60)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 775938
Description/Abstract:
Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbcn (60)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TiO2 / P4_2/mnm (136) / materials id 2657
Description/Abstract:
Ab-initio phonon calculation for TiO2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
TiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Toggle facets
Limit your search
Type of work
Dataset
6
Collection
MDR phonon calculation database
6
Keyword
Phonon
[remove]
6
TiO2
[remove]
6
Pbcn (60)
2
C2/m (12)
1
I4_1/amd (141)
1
more
Keywords
»
Publisher
NIMS
6
Resource type
Dataset
6
Visibility
open
6
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
6
Data origin
simulation
6
Author
Atsushi Togo
6
Funder
MEXT
6
Software
VASP
6
phonopy
6
spglib
6