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Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346
Description/Abstract:
Ab-initio phonon calculation for CuI / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuI
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CuI / P-3m1 (164) / materials id 570081
Description/Abstract:
Ab-initio phonon calculation for CuI / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CuI
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CuI / R3m (160) / materials id 22895
Description/Abstract:
Ab-initio phonon calculation for CuI / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
CuI
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CuI / P3m1 (156) / materials id 570136
Description/Abstract:
Ab-initio phonon calculation for CuI / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
CuI
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for CuI / R3m (160) / materials id 32750
Description/Abstract:
Ab-initio phonon calculation for CuI / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
CuI
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for CuI / P1 (1) / materials id 673245
Description/Abstract:
Ab-initio phonon calculation for CuI / P1 (1) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw da...
Keyword:
CuI
,
P1 (1)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
6
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CuI
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6
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Atsushi Togo
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VASP
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phonopy
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