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Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731
Description/Abstract:
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba2CaI6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) / materials id 557738
Description/Abstract:
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li3BiO4
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) / materials id 643010
Description/Abstract:
Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2H4Pt
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) / materials id 862868
Description/Abstract:
Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4_2/mnm (136)
,
PbBr2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) / materials id 756131
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) / materials id 754224
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaSr2I6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Na4Be2O5 / P4_2/mnm (136) / materials id 14324
Description/Abstract:
Ab-initio phonon calculation for K2Na4Be2O5 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
K2Na4Be2O5
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) / materials id 1873
Description/Abstract:
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
ZnF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) / materials id 754572
Description/Abstract:
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaCa2I6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3AuO3 / P4_2/mnm (136) / materials id 768915
Description/Abstract:
Ab-initio phonon calculation for Na3AuO3 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3AuO3
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Type of work
Dataset
73
Collection
MDR phonon calculation database
73
Keyword
P4_2/mnm (136)
[remove]
73
Phonon
73
Ba2CaI6
1
Ba2SrI6
1
Ba3Zr2S7
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NIMS
73
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Dataset
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73
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
73
Data origin
simulation
73
Author
Atsushi Togo
73
Funder
MEXT
73
Software
VASP
73
phonopy
73
spglib
73