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C2 (5)
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Ab-initio phonon calculation for Ba2Na2B10H2O19 / C2 (5) / materials id 697960
Description/Abstract:
Ab-initio phonon calculation for Ba2Na2B10H2O19 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2Na2B10H2O19
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NbI2O / C2 (5) / materials id 549720
Description/Abstract:
Ab-initio phonon calculation for NbI2O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
NbI2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for NbBr2O / C2 (5) / materials id 550070
Description/Abstract:
Ab-initio phonon calculation for NbBr2O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
NbBr2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na2CdSnS4 / C2 (5) / materials id 561075
Description/Abstract:
Ab-initio phonon calculation for Na2CdSnS4 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Na2CdSnS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) / materials id 626878
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:
23/05/2023
Ab-initio phonon calculation for Ca(Ga3Te5)2 / C2 (5) / materials id 675750
Description/Abstract:
Ab-initio phonon calculation for Ca(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Ca(Ga3Te5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Y5Tm11O24 / C2 (5) / materials id 759638
Description/Abstract:
Ab-initio phonon calculation for Y5Tm11O24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Phonon
, and
Y5Tm11O24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Li3ScCl6 / C2 (5) / materials id 686004
Description/Abstract:
Ab-initio phonon calculation for Li3ScCl6 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Li3ScCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for LiTlPHO3 / C2 (5) / materials id 772968
Description/Abstract:
Ab-initio phonon calculation for LiTlPHO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
LiTlPHO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for SrTaNO2 / C2 (5) / materials id 849636
Description/Abstract:
Ab-initio phonon calculation for SrTaNO2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Phonon
, and
SrTaNO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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Dataset
59
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MDR phonon calculation database
59
Keyword
C2 (5)
[remove]
59
Phonon
59
Ca(HO)2
2
Ba2Na2B10H2O19
1
BaTi2O5
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NIMS
59
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Dataset
59
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59
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
59
Data origin
simulation
59
Author
Atsushi Togo
59
Funder
MEXT
59
Software
VASP
59
phonopy
59
spglib
59