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Ti(SiO3)2
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Ab-initio phonon calculation for Ti(SiO3)2 / Pbca (61) / materials id 766596
Description/Abstract:
Ab-initio phonon calculation for Ti(SiO3)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pbca (61)
,
Phonon
, and
Ti(SiO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti(SiO3)2 / C2/c (15) / materials id 25301
Description/Abstract:
Ab-initio phonon calculation for Ti(SiO3)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Phonon
, and
Ti(SiO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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MDR phonon calculation database
2
Keyword
Phonon
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Ti(SiO3)2
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C2/c (15)
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Pbca (61)
1
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NIMS
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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