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Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) / materials id 557738
Description/Abstract:
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li3BiO4
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3BiO4 / P2/c (13) / materials id 774702
Description/Abstract:
Ab-initio phonon calculation for Li3BiO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li3BiO4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li3BiO4 / I-43m (217) / materials id 769004
Description/Abstract:
Ab-initio phonon calculation for Li3BiO4 / I-43m (217) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-43m (217)
,
Li3BiO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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3
Collection
MDR phonon calculation database
3
Keyword
Li3BiO4
[remove]
3
Phonon
3
I-43m (217)
1
P2/c (13)
1
P4_2/mnm (136)
1
Publisher
NIMS
3
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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