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Ab-initio phonon calculation for YWN3 / Pmc2_1 (26) / materials id 989407
Description/Abstract:
Ab-initio phonon calculation for YWN3 / Pmc2_1 (26) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pmc2_1 (26)
, and
YWN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for YWN3 / Ama2 (40) / materials id 989617
Description/Abstract:
Ab-initio phonon calculation for YWN3 / Ama2 (40) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ama2 (40)
,
Phonon
, and
YWN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YWN3 / P2_1/m (11) / materials id 989645
Description/Abstract:
Ab-initio phonon calculation for YWN3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
YWN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for YWN3 / Cmcm (63) / materials id 989609
Description/Abstract:
Ab-initio phonon calculation for YWN3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
YWN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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4
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MDR phonon calculation database
4
Keyword
Phonon
4
YWN3
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Ama2 (40)
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Cmcm (63)
1
P2_1/m (11)
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NIMS
4
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4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
4
Data origin
simulation
4
Author
Atsushi Togo
4
Funder
MEXT
4
Software
VASP
4
phonopy
4
spglib
4