Index Catalog // MDR

Skip to Content

Home
About
Help
Contact
Login

Search MDR

Search Constraints

Start Over

Filtering by: Software VASP Remove constraint Software: VASP Keyword R-3 (148) Remove constraint Keyword: R-3 (148) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

« Previous | 1 - 10 of 196 | 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 In(HO)3 / R-3 (148) / materials id 626412

Description/Abstract:

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

Keyword:

In(HO)3, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659

Description/Abstract:

Ab-initio phonon calculation for HgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

HgPbF6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221

Description/Abstract:

Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ca2Hf7O16, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836

Description/Abstract:

Ab-initio phonon calculation for K2In12Se19 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

K2In12Se19, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) / materials id 754266

Description/Abstract:

Ab-initio phonon calculation for Li8TiS6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Li8TiS6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) / materials id 558428

Description/Abstract:

Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Ba9Sc2(SiO4)6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KPF6 / R-3 (148) / materials id 4608

Description/Abstract:

Ab-initio phonon calculation for KPF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

KPF6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La3ScO6 / R-3 (148) / materials id 752569

Description/Abstract:

Ab-initio phonon calculation for La3ScO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

La3ScO6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li8SnO6 / R-3 (148) / materials id 4527

Description/Abstract:

Ab-initio phonon calculation for Li8SnO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Li8SnO6, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) / materials id 541451

Description/Abstract:

Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ga2(SO4)3, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

« Previous
Next »
1
2
3
4
5
…
19
20

Limit your search

Type of work

Dataset196

Collection

MDR phonon calculation database[remove]196

Keyword

Phonon196
R-3 (148)[remove]196
In(HO)32
K2In12Se192
Lu(HO)32
more Keywords »

Publisher

NIMS196

Resource type

Dataset196

Visibility

open196

Rights Statement Sim

Creative Commons BY Attribution 4.0 International196

Data origin

simulation196

Author

Atsushi Togo196

Funder

MEXT196

Software

VASP[remove]196
phonopy196
spglib196

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