Index Catalog // MDR

Skip to Content

Home
About
Help
Contact
Login

Search MDR

Search Constraints

Start Over

Filtering by: Keyword Pbca (61) Remove constraint Keyword: Pbca (61) Keyword Phonon Remove constraint Keyword: Phonon Rights Statement Sim Creative Commons BY Attribution 4.0 International Remove constraint Rights Statement Sim: Creative Commons BY Attribution 4.0 International

« Previous | 1 - 10 of 128 | 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 ZnSeO3 / Pbca (61) / materials id 5338

Description/Abstract:

Ab-initio phonon calculation for ZnSeO3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Pbca (61), Phonon, and ZnSeO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121

Description/Abstract:

Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Na2Hg3S4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262

Description/Abstract:

Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

K5YO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369

Description/Abstract:

Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ca2Zr5Ti2O16, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na5TlO4 / Pbca (61) / materials id 7652

Description/Abstract:

Ab-initio phonon calculation for Na5TlO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Na5TlO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl2PS3 / Pbca (61) / materials id 28217

Description/Abstract:

Ab-initio phonon calculation for Tl2PS3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Pbca (61), Phonon, and Tl2PS3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) / materials id 559109

Description/Abstract:

Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

ErGeBiO5, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) / materials id 542678

Description/Abstract:

Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

AlAs(H2O3)2, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na5GaO4 / Pbca (61) / materials id 7656

Description/Abstract:

Ab-initio phonon calculation for Na5GaO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Na5GaO4, Pbca (61), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) / materials id 31287

Description/Abstract:

Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Pbca (61), Phonon, and Tl3PdBr5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

« Previous
Next »
1
2
3
4
5
…
12
13

Limit your search

Type of work

Dataset128

Collection

MDR phonon calculation database128

Keyword

Pbca (61)[remove]128
Phonon[remove]128
HfO22
K5YO42
Li5GaO42
more Keywords »

Publisher

NIMS128

Resource type

Dataset128

Visibility

open128

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]128

Data origin

simulation128

Author

Atsushi Togo128

Funder

MEXT128

Software

VASP128
phonopy128
spglib128

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