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CaSeO3
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Ab-initio phonon calculation for CaSeO3 / P2_1/c (14) / materials id 557997
Description/Abstract:
Ab-initio phonon calculation for CaSeO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaSeO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaSeO3 / Pnma (62) / materials id 754140
Description/Abstract:
Ab-initio phonon calculation for CaSeO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaSeO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
CaSeO3
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2
Phonon
2
P2_1/c (14)
1
Pnma (62)
1
Publisher
NIMS
2
Resource type
Dataset
2
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open
2
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
2
Data origin
simulation
2
Author
Atsushi Togo
2
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2