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Nb3O7F
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Ab-initio phonon calculation for Nb3O7F / Cmmm (65) / materials id 753459
Description/Abstract:
Ab-initio phonon calculation for Nb3O7F / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
Nb3O7F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Nb3O7F / Pnma (62) / materials id 760188
Description/Abstract:
Ab-initio phonon calculation for Nb3O7F / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Nb3O7F
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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Type of work
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2
Collection
MDR phonon calculation database
2
Keyword
Nb3O7F
[remove]
2
Phonon
2
Cmmm (65)
1
Pnma (62)
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