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K2ReCl5O
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Ab-initio phonon calculation for K2ReCl5O / Pnma (62) / materials id 556347
Description/Abstract:
Ab-initio phonon calculation for K2ReCl5O / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K2ReCl5O
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
1
Collection
MDR phonon calculation database
1
Keyword
K2ReCl5O
[remove]
1
Phonon
1
Pnma (62)
1
Publisher
NIMS
1
Resource type
Dataset
1
Visibility
open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulation
1
Author
Atsushi Togo
1
Funder
MEXT
1
Software
VASP
1
phonopy
1
spglib
1