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KNdO2
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Ab-initio phonon calculation for KNdO2 / R-3m (166) / materials id 754158
Description/Abstract:
Ab-initio phonon calculation for KNdO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KNdO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for KNdO2 / P6_3/mmc (194) / materials id 768864
Description/Abstract:
Ab-initio phonon calculation for KNdO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KNdO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
KNdO2
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2
Phonon
2
P6_3/mmc (194)
1
R-3m (166)
1
Publisher
NIMS
2
Resource type
Dataset
2
Visibility
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