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Ab-initio phonon calculation for KCaF3 / Pm-3m (221) / materials id 4950
Description/Abstract:
Ab-initio phonon calculation for KCaF3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KCaF3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KCaF3 / P2_1/m (11) / materials id 643749
Description/Abstract:
Ab-initio phonon calculation for KCaF3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KCaF3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for KCaF3 / Pnma (62) / materials id 5926
Description/Abstract:
Ab-initio phonon calculation for KCaF3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KCaF3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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3
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MDR phonon calculation database
3
Keyword
KCaF3
[remove]
3
Phonon
3
P2_1/m (11)
1
Pm-3m (221)
1
Pnma (62)
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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