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Ab-initio phonon calculation for Na3CuO2 / P4_2/mnm (136) / materials id 755401
Description/Abstract:
Ab-initio phonon calculation for Na3CuO2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3CuO2
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3CuO2 / R-3c (167) / materials id 779545
Description/Abstract:
Ab-initio phonon calculation for Na3CuO2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na3CuO2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Na3CuO2 / P4_12_12 (92) / materials id 779502
Description/Abstract:
Ab-initio phonon calculation for Na3CuO2 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3CuO2
,
P4_12_12 (92)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Na3CuO2 / P2_1/c (14) / materials id 755530
Description/Abstract:
Ab-initio phonon calculation for Na3CuO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na3CuO2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Na3CuO2 / Ibam (72) / materials id 754352
Description/Abstract:
Ab-initio phonon calculation for Na3CuO2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ibam (72)
,
Na3CuO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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MDR phonon calculation database
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Na3CuO2
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Phonon
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P2_1/c (14)
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NIMS
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Creative Commons BY Attribution 4.0 International
5
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simulation
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Atsushi Togo
5
Funder
MEXT
5
Software
VASP
5
phonopy
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spglib
5