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Ab-initio phonon calculation for GeS2 / I-42d (122) / materials id 7582
Description/Abstract:
Ab-initio phonon calculation for GeS2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
GeS2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GeS2 / Fdd2 (43) / materials id 553973
Description/Abstract:
Ab-initio phonon calculation for GeS2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fdd2 (43)
,
GeS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for GeS2 / I4_1/acd (142) / materials id 622213
Description/Abstract:
Ab-initio phonon calculation for GeS2 / I4_1/acd (142) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
GeS2
,
I4_1/acd (142)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for GeS2 / Fdd2 (43) / materials id 542613
Description/Abstract:
Ab-initio phonon calculation for GeS2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fdd2 (43)
,
GeS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Type of work
Dataset
4
Collection
MDR phonon calculation database
4
Keyword
GeS2
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4
Phonon
4
Fdd2 (43)
2
I-42d (122)
1
I4_1/acd (142)
1
Publisher
NIMS
4
Resource type
Dataset
4
Visibility
open
4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
4
Data origin
simulation
4
Author
Atsushi Togo
4
Funder
MEXT
4
Software
VASP
4
phonopy
4
spglib
4