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YScO3
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Ab-initio phonon calculation for YScO3 / Pnma (62) / materials id 755165
Description/Abstract:
Ab-initio phonon calculation for YScO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
YScO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YScO3 / P6_3cm (185) / materials id 769007
Description/Abstract:
Ab-initio phonon calculation for YScO3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3cm (185)
,
Phonon
, and
YScO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YScO3 / P6_3/mmc (194) / materials id 768479
Description/Abstract:
Ab-initio phonon calculation for YScO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
YScO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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3
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MDR phonon calculation database
3
Keyword
Phonon
3
YScO3
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3
P6_3/mmc (194)
1
P6_3cm (185)
1
Pnma (62)
1
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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