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Ab-initio phonon calculation for Hf2Bi2O7 / C2 (5) / materials id 35799
Description/Abstract:
Ab-initio phonon calculation for Hf2Bi2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Hf2Bi2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2NaAl6F21 / C2 (5) / materials id 560570
Description/Abstract:
Ab-initio phonon calculation for Rb2NaAl6F21 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Rb2NaAl6F21
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La3Zn3Ge2SbO14 / C2 (5) / materials id 672262
Description/Abstract:
Ab-initio phonon calculation for La3Zn3Ge2SbO14 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2 (5)
,
La3Zn3Ge2SbO14
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NbTlBr4O / C2 (5) / materials id 551826
Description/Abstract:
Ab-initio phonon calculation for NbTlBr4O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
NbTlBr4O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Y3DyO6 / C2 (5) / materials id 757197
Description/Abstract:
Ab-initio phonon calculation for Y3DyO6 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
Phonon
, and
Y3DyO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Tb14(PbSe8)3 / C2 (5) / materials id 676110
Description/Abstract:
Ab-initio phonon calculation for Tb14(PbSe8)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2 (5)
,
Phonon
, and
Tb14(PbSe8)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Yb(Ga3Te5)2 / C2 (5) / materials id 676644
Description/Abstract:
Ab-initio phonon calculation for Yb(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Yb(Ga3Te5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cd(HO)2 / C2 (5) / materials id 625565
Description/Abstract:
Ab-initio phonon calculation for Cd(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Cd(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for LiAlAs2O7 / C2 (5) / materials id 547017
Description/Abstract:
Ab-initio phonon calculation for LiAlAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiAlAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca11Al14O32 / C2 (5) / materials id 33318
Description/Abstract:
Ab-initio phonon calculation for Ca11Al14O32 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Ca11Al14O32
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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59
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MDR phonon calculation database
59
Keyword
C2 (5)
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Phonon
59
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Ba2Na2B10H2O19
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59
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59
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Atsushi Togo
59
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MEXT
59
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VASP
59
phonopy
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spglib
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