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Hg3PO4
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Ab-initio phonon calculation for Hg3PO4 / P2_1/c (14) / materials id 29709
Description/Abstract:
Ab-initio phonon calculation for Hg3PO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Hg3PO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Hg3PO4 / P2_1/c (14) / materials id 554914
Description/Abstract:
Ab-initio phonon calculation for Hg3PO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Hg3PO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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2
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MDR phonon calculation database
2
Keyword
Hg3PO4
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2
P2_1/c (14)
2
Phonon
2
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NIMS
2
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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