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Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 600033
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Im-3m (229)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) / materials id 28167
Description/Abstract:
Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
Phonon
, and
Th6CoBr15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) / materials id 16137
Description/Abstract:
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
K4CaU3O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K4SrU3O12 / Im-3m (229) / materials id 22634
Description/Abstract:
Ab-initio phonon calculation for K4SrU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
K4SrU3O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 639741
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Im-3m (229)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Zr6CoCl15 / Im-3m (229) / materials id 28734
Description/Abstract:
Ab-initio phonon calculation for Zr6CoCl15 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
Phonon
, and
Zr6CoCl15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiCa4(BN2)3 / Im-3m (229) / materials id 6799
Description/Abstract:
Ab-initio phonon calculation for LiCa4(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Im-3m (229)
,
LiCa4(BN2)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Ba4Na(SbO4)3 / Im-3m (229) / materials id 6273
Description/Abstract:
Ab-initio phonon calculation for Ba4Na(SbO4)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba4Na(SbO4)3
,
Im-3m (229)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for K4BaU3O12 / Im-3m (229) / materials id 19965
Description/Abstract:
Ab-initio phonon calculation for K4BaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
K4BaU3O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ba4Na(BN2)3 / Im-3m (229) / materials id 9705
Description/Abstract:
Ab-initio phonon calculation for Ba4Na(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba4Na(BN2)3
,
Im-3m (229)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for SF6 / Im-3m (229) / materials id 8560
Description/Abstract:
Ab-initio phonon calculation for SF6 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Im-3m (229)
,
Phonon
, and
SF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Sr4Li(BN2)3 / Im-3m (229) / materials id 9723
Description/Abstract:
Ab-initio phonon calculation for Sr4Li(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Im-3m (229)
,
Phonon
, and
Sr4Li(BN2)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 600005
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Im-3m (229)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Tl / Im-3m (229) / materials id 39
Description/Abstract:
Ab-initio phonon calculation for Tl / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Im-3m (229)
,
Phonon
, and
Tl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for H2 / Im-3m (229) / materials id 632250
Description/Abstract:
Ab-initio phonon calculation for H2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
H2
,
Im-3m (229)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for NaSr4(BN2)3 / Im-3m (229) / materials id 10811
Description/Abstract:
Ab-initio phonon calculation for NaSr4(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Im-3m (229)
,
NaSr4(BN2)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
16
Collection
MDR phonon calculation database
16
Keyword
Im-3m (229)
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16
Phonon
16
SiO2
3
Ba4Na(BN2)3
1
Ba4Na(SbO4)3
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NIMS
16
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Dataset
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Visibility
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16
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
16
Data origin
simulation
16
Author
Atsushi Togo
16
Funder
MEXT
16
Software
VASP
16
phonopy
16
spglib
16