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Ab-initio phonon calculation for LiScAs2O7 / C2 (5) / materials id 552663
Description/Abstract:
Ab-initio phonon calculation for LiScAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiScAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Nd4CuTe5(ClO5)3 / C2 (5) / materials id 683957
Description/Abstract:
Ab-initio phonon calculation for Nd4CuTe5(ClO5)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2 (5)
,
Nd4CuTe5(ClO5)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li2PtO3 / C2 (5) / materials id 531826
Description/Abstract:
Ab-initio phonon calculation for Li2PtO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Li2PtO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K2Ge3(BO5)2 / C2 (5) / materials id 560019
Description/Abstract:
Ab-initio phonon calculation for K2Ge3(BO5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
K2Ge3(BO5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr8Si2PtO14 / C2 (5) / materials id 561245
Description/Abstract:
Ab-initio phonon calculation for Sr8Si2PtO14 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Sr8Si2PtO14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) / materials id 626644
Description/Abstract:
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Ca(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Zr6Nb2O17 / C2 (5) / materials id 766207
Description/Abstract:
Ab-initio phonon calculation for Zr6Nb2O17 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Phonon
, and
Zr6Nb2O17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Li6Ti2O7 / C2 (5) / materials id 770456
Description/Abstract:
Ab-initio phonon calculation for Li6Ti2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Li6Ti2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Cs2Li3I5 / C2 (5) / materials id 608311
Description/Abstract:
Ab-initio phonon calculation for Cs2Li3I5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Cs2Li3I5
, 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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BaTi2O5
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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