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KZr2(PO4)3
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Ab-initio phonon calculation for KZr2(PO4)3 / R-3c (167) / materials id 540577
Description/Abstract:
Ab-initio phonon calculation for KZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KZr2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Type of work
Dataset
1
Collection
MDR phonon calculation database
1
Keyword
KZr2(PO4)3
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1
Phonon
1
R-3c (167)
1
Publisher
NIMS
1
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Dataset
1
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open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulation
1
Author
Atsushi Togo
1
Funder
MEXT
1
Software
VASP
1
phonopy
1
spglib
1