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Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) / materials id 17894
Description/Abstract:
Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1 (4)
,
Phonon
, and
Rb3Sm(PS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886
Description/Abstract:
Ab-initio phonon calculation for Ga2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Ga2O3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004
Description/Abstract:
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Rb4Br2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214
Description/Abstract:
Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsSnBr3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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Type of work
Dataset
10,034
Collection
MDR phonon calculation database
10,034
Keyword
Phonon
10,034
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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Publisher
NIMS
10,034
Resource type
Dataset
10,034
Visibility
open
10,034
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
[remove]
10,034
Author
Atsushi Togo
10,034
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034