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Ca3ZrSi2O9
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Ab-initio phonon calculation for Ca3ZrSi2O9 / P2_1/c (14) / materials id 15004
Description/Abstract:
Ab-initio phonon calculation for Ca3ZrSi2O9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca3ZrSi2O9
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Dataset
1
Collection
MDR phonon calculation database
1
Keyword
Ca3ZrSi2O9
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1
P2_1/c (14)
1
Phonon
1
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NIMS
1
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Dataset
1
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open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulation
1
Author
Atsushi Togo
1
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MEXT
1
Software
VASP
1
phonopy
1
spglib
1