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Pnnm (58)
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Ab-initio phonon calculation for AlH3 / Pnnm (58) / materials id 570130
Description/Abstract:
Ab-initio phonon calculation for AlH3 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
AlH3
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Na3InO4 / Pnnm (58) / materials id 504962
Description/Abstract:
Ab-initio phonon calculation for K2Na3InO4 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2Na3InO4
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Pr3InSe6 / Pnnm (58) / materials id 21575
Description/Abstract:
Ab-initio phonon calculation for Pr3InSe6 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnnm (58)
, and
Pr3InSe6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Al2F12 / Pnnm (58) / materials id 3361
Description/Abstract:
Ab-initio phonon calculation for Ba3Al2F12 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba3Al2F12
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2Al6O11 / Pnnm (58) / materials id 30906
Description/Abstract:
Ab-initio phonon calculation for Sr2Al6O11 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnnm (58)
, and
Sr2Al6O11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Zn2PHO5 / Pnnm (58) / materials id 24004
Description/Abstract:
Ab-initio phonon calculation for Zn2PHO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnnm (58)
, and
Zn2PHO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2SiO5 / Pnnm (58) / materials id 4753
Description/Abstract:
Ab-initio phonon calculation for Al2SiO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Al2SiO5
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Pnnm (58) / materials id 558025
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnnm (58)
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaBr2 / Pnnm (58) / materials id 22888
Description/Abstract:
Ab-initio phonon calculation for CaBr2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaBr2
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for As2Ru / Pnnm (58) / materials id 766
Description/Abstract:
Ab-initio phonon calculation for As2Ru / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
As2Ru
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
61
Collection
MDR phonon calculation database
61
Keyword
Phonon
61
Pnnm (58)
[remove]
61
Al2SiO5
1
AlH3
1
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NIMS
61
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61
Visibility
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61
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
61
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simulation
61
Author
Atsushi Togo
61
Funder
MEXT
61
Software
VASP
61
phonopy
61
spglib
61