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Rb3ClO
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Ab-initio phonon calculation for Rb3ClO / P6_3/mmc (194) / materials id 772199
Description/Abstract:
Ab-initio phonon calculation for Rb3ClO / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Rb3ClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb3ClO / Pnma (62) / materials id 756979
Description/Abstract:
Ab-initio phonon calculation for Rb3ClO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3ClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Rb3ClO / Pnma (62) / materials id 755428
Description/Abstract:
Ab-initio phonon calculation for Rb3ClO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3ClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb3ClO / Pm-3m (221) / materials id 754892
Description/Abstract:
Ab-initio phonon calculation for Rb3ClO / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pm-3m (221)
, and
Rb3ClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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4
Collection
MDR phonon calculation database
4
Keyword
Phonon
4
Rb3ClO
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4
Pnma (62)
2
P6_3/mmc (194)
1
Pm-3m (221)
1
Publisher
NIMS
4
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Dataset
4
Visibility
open
4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
4
Data origin
simulation
4
Author
Atsushi Togo
4
Funder
MEXT
4
Software
VASP
4
phonopy
4
spglib
4