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Ab-initio phonon calculation for Ba3GeO5 / R3m (160) / materials id 770959
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3GeO5
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3GeO5 / I4/mcm (140) / materials id 754370
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3GeO5
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) / materials id 756637
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3GeO5
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba3GeO5 / P4/ncc (130) / materials id 778602
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3GeO5
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
4
Collection
MDR phonon calculation database
4
Keyword
Ba3GeO5
[remove]
4
Phonon
4
R3m (160)
2
I4/mcm (140)
1
P4/ncc (130)
1
Publisher
NIMS
4
Resource type
Dataset
4
Visibility
open
4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
4
Data origin
simulation
4
Author
Atsushi Togo
4
Funder
MEXT
4
Software
VASP
4
phonopy
4
spglib
4