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Aea2 (41)
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Ab-initio phonon calculation for SeBr / Aea2 (41) / materials id 570589
Description/Abstract:
Ab-initio phonon calculation for SeBr / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Aea2 (41)
,
Phonon
, and
SeBr
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrS3 / Aea2 (41) / materials id 1175
Description/Abstract:
Ab-initio phonon calculation for SrS3 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Aea2 (41)
,
Phonon
, and
SrS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KB5(H2O3)4 / Aea2 (41) / materials id 706621
Description/Abstract:
Ab-initio phonon calculation for KB5(H2O3)4 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Aea2 (41)
,
KB5(H2O3)4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrTa2Bi2O9 / Aea2 (41) / materials id 559951
Description/Abstract:
Ab-initio phonon calculation for SrTa2Bi2O9 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Aea2 (41)
,
Phonon
, and
SrTa2Bi2O9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Tl4Hg3Sb2(As2S5)4 / Aea2 (41) / materials id 553948
Description/Abstract:
Ab-initio phonon calculation for Tl4Hg3Sb2(As2S5)4 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Aea2 (41)
,
Phonon
, and
Tl4Hg3Sb2(As2S5)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ti3(BiO3)4 / Aea2 (41) / materials id 23427
Description/Abstract:
Ab-initio phonon calculation for Ti3(BiO3)4 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Aea2 (41)
,
Phonon
, and
Ti3(BiO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for K2Hg3(GeSe4)2 / Aea2 (41) / materials id 17307
Description/Abstract:
Ab-initio phonon calculation for K2Hg3(GeSe4)2 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Aea2 (41)
,
K2Hg3(GeSe4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2Hg3(GeS4)2 / Aea2 (41) / materials id 17792
Description/Abstract:
Ab-initio phonon calculation for K2Hg3(GeS4)2 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Aea2 (41)
,
K2Hg3(GeS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SO2 / Aea2 (41) / materials id 27726
Description/Abstract:
Ab-initio phonon calculation for SO2 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Aea2 (41)
,
Phonon
, and
SO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CsAl3(P3O10)2 / Aea2 (41) / materials id 558602
Description/Abstract:
Ab-initio phonon calculation for CsAl3(P3O10)2 / Aea2 (41) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Aea2 (41)
,
CsAl3(P3O10)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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MDR phonon calculation database
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Aea2 (41)
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Atsushi Togo
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MEXT
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VASP
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phonopy
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spglib
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