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Ab-initio phonon calculation for NaGaO2 / Pbca (61) / materials id 557154
Description/Abstract:
Ab-initio phonon calculation for NaGaO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaGaO2
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaGaO2 / Pna2_1 (33) / materials id 3338
Description/Abstract:
Ab-initio phonon calculation for NaGaO2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaGaO2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
NaGaO2
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2
Phonon
2
Pbca (61)
1
Pna2_1 (33)
1
Publisher
NIMS
2
Resource type
Dataset
2
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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