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PrAlO3
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Ab-initio phonon calculation for PrAlO3 / R-3c (167) / materials id 3466
Description/Abstract:
Ab-initio phonon calculation for PrAlO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
PrAlO3
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrAlO3 / Pm-3m (221) / materials id 8218
Description/Abstract:
Ab-initio phonon calculation for PrAlO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pm-3m (221)
, and
PrAlO3
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
Phonon
2
PrAlO3
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Pm-3m (221)
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R-3c (167)
1
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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