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KNa(BH4)2
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Ab-initio phonon calculation for KNa(BH4)2 / R-3 (148) / materials id 568428
Description/Abstract:
Ab-initio phonon calculation for KNa(BH4)2 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KNa(BH4)2
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for KNa(BH4)2 / P3m1 (156) / materials id 571414
Description/Abstract:
Ab-initio phonon calculation for KNa(BH4)2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KNa(BH4)2
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KNa(BH4)2 / R-3m (166) / materials id 23758
Description/Abstract:
Ab-initio phonon calculation for KNa(BH4)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KNa(BH4)2
,
Phonon
, and
R-3m (166)
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
KNa(BH4)2
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3
Phonon
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P3m1 (156)
1
R-3 (148)
1
R-3m (166)
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NIMS
3
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Dataset
3
Visibility
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