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C2 (5)
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Ab-initio phonon calculation for KCrP2S7 / C2 (5) / materials id 7147
Description/Abstract:
Ab-initio phonon calculation for KCrP2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
KCrP2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) / materials id 11131
Description/Abstract:
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2 (5)
,
K2Hg3(GeS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsGaP3HO10 / C2 (5) / materials id 24181
Description/Abstract:
Ab-initio phonon calculation for CsGaP3HO10 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2 (5)
,
CsGaP3HO10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaScAs2O7 / C2 (5) / materials id 550925
Description/Abstract:
Ab-initio phonon calculation for NaScAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
NaScAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd(Ga3Te5)2 / C2 (5) / materials id 36641
Description/Abstract:
Ab-initio phonon calculation for Cd(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Cd(Ga3Te5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaTi2O5 / C2 (5) / materials id 555966
Description/Abstract:
Ab-initio phonon calculation for BaTi2O5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BaTi2O5
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for K4Ba(GeO3)3 / C2 (5) / materials id 557584
Description/Abstract:
Ab-initio phonon calculation for K4Ba(GeO3)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
K4Ba(GeO3)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for SmY15O24 / C2 (5) / materials id 757791
Description/Abstract:
Ab-initio phonon calculation for SmY15O24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
SmY15O24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for NbI3O / C2 (5) / materials id 546285
Description/Abstract:
Ab-initio phonon calculation for NbI3O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
NbI3O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Na3Al2(AsO4)3 / C2 (5) / materials id 556676
Description/Abstract:
Ab-initio phonon calculation for Na3Al2(AsO4)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2 (5)
,
Na3Al2(AsO4)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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59
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MDR phonon calculation database
59
Keyword
C2 (5)
[remove]
59
Phonon
59
Ca(HO)2
2
Ba2Na2B10H2O19
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NIMS
59
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59
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Creative Commons BY Attribution 4.0 International
59
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simulation
59
Author
Atsushi Togo
59
Funder
MEXT
59
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VASP
59
phonopy
59
spglib
59