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HgO
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Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224
Description/Abstract:
Ab-initio phonon calculation for HgO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
HgO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgO / P3_121 (152) / materials id 7826
Description/Abstract:
Ab-initio phonon calculation for HgO / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgO
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HgO / P2_1/m (11) / materials id 556859
Description/Abstract:
Ab-initio phonon calculation for HgO / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
HgO
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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3
Collection
MDR phonon calculation database
3
Keyword
HgO
[remove]
3
Phonon
3
P2_1/m (11)
1
P3_121 (152)
1
Pnma (62)
1
Publisher
NIMS
3
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Dataset
3
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open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Data origin
simulation
3
Author
Atsushi Togo
3
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3