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Ba2GeO4
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Ab-initio phonon calculation for Ba2GeO4 / P2_1/c (14) / materials id 752730
Description/Abstract:
Ab-initio phonon calculation for Ba2GeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2GeO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2GeO4 / Pnma (62) / materials id 752410
Description/Abstract:
Ab-initio phonon calculation for Ba2GeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2GeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba2GeO4 / Pna2_1 (33) / materials id 780263
Description/Abstract:
Ab-initio phonon calculation for Ba2GeO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2GeO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
3
Collection
MDR phonon calculation database
3
Keyword
Ba2GeO4
[remove]
3
Phonon
3
P2_1/c (14)
1
Pna2_1 (33)
1
Pnma (62)
1
Publisher
NIMS
3
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Dataset
3
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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