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BiAsO4
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Ab-initio phonon calculation for BiAsO4 / P2_1/c (14) / materials id 27911
Description/Abstract:
Ab-initio phonon calculation for BiAsO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BiAsO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) / materials id 561068
Description/Abstract:
Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BiAsO4
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
BiAsO4
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2
Phonon
2
I4_1/a (88)
1
P2_1/c (14)
1
Publisher
NIMS
2
Resource type
Dataset
2
Visibility
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