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Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753360
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 759825
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiOF / Pbca (61) / materials id 759870
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiOF / R-3m (166) / materials id 752949
Description/Abstract:
Ab-initio phonon calculation for BiOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BiOF
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753160
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for BiOF / P4/nmm (129) / materials id 753594
Description/Abstract:
Ab-initio phonon calculation for BiOF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BiOF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BiOF / P4/nmm (129) / materials id 23074
Description/Abstract:
Ab-initio phonon calculation for BiOF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BiOF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BiOF / R-3m (166) / materials id 759883
Description/Abstract:
Ab-initio phonon calculation for BiOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BiOF
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for BiOF / P2_1/c (14) / materials id 762304
Description/Abstract:
Ab-initio phonon calculation for BiOF / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BiOF
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Dataset
9
Collection
MDR phonon calculation database
9
Keyword
BiOF
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9
Phonon
9
Pnma (62)
3
P4/nmm (129)
2
R-3m (166)
2
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Publisher
NIMS
9
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Dataset
9
Visibility
open
9
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
9
Data origin
simulation
9
Author
Atsushi Togo
9
Funder
MEXT
9
Software
VASP
9
phonopy
9
spglib
9