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LiBeH3
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Ab-initio phonon calculation for LiBeH3 / P2_1/c (14) / materials id 570218
Description/Abstract:
Ab-initio phonon calculation for LiBeH3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiBeH3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for LiBeH3 / Cmcm (63) / materials id 977148
Description/Abstract:
Ab-initio phonon calculation for LiBeH3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
LiBeH3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for LiBeH3 / C2/c (15) / materials id 977298
Description/Abstract:
Ab-initio phonon calculation for LiBeH3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
LiBeH3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Type of work
Dataset
3
Collection
MDR phonon calculation database
3
Keyword
LiBeH3
[remove]
3
Phonon
3
C2/c (15)
1
Cmcm (63)
1
P2_1/c (14)
1
Publisher
NIMS
3
Resource type
Dataset
3
Visibility
open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Data origin
simulation
3
Author
Atsushi Togo
3
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3