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P-4n2 (118)
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Ab-initio phonon calculation for Ge23Mo13 / P-4n2 (118) / materials id 569901
Description/Abstract:
Ab-initio phonon calculation for Ge23Mo13 / P-4n2 (118) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ge23Mo13
,
P-4n2 (118)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nb(PS4)2 / P-4n2 (118) / materials id 28130
Description/Abstract:
Ab-initio phonon calculation for Nb(PS4)2 / P-4n2 (118) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Nb(PS4)2
,
P-4n2 (118)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Zn3(PS4)2 / P-4n2 (118) / materials id 30311
Description/Abstract:
Ab-initio phonon calculation for Zn3(PS4)2 / P-4n2 (118) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-4n2 (118)
,
Phonon
, and
Zn3(PS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Mg2B24C / P-4n2 (118) / materials id 568556
Description/Abstract:
Ab-initio phonon calculation for Mg2B24C / P-4n2 (118) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg2B24C
,
P-4n2 (118)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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MDR phonon calculation database
4
Keyword
P-4n2 (118)
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Phonon
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Ge23Mo13
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Mg2B24C
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Nb(PS4)2
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NIMS
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
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simulation
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Author
Atsushi Togo
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Funder
MEXT
4
Software
VASP
4
phonopy
4
spglib
4