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P6_3/m (176)
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Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) / materials id 23660
Description/Abstract:
Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
KNa22C2S9ClO42
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) / materials id 861914
Description/Abstract:
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3Co(CN)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Lu(BO2)9 / P6_3/m (176) / materials id 561253
Description/Abstract:
Ab-initio phonon calculation for Ba3Lu(BO2)9 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Lu(BO2)9
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ga2P3(HO3)3 / P6_3/m (176) / materials id 24563
Description/Abstract:
Ab-initio phonon calculation for Ga2P3(HO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ga2P3(HO3)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) / materials id 756888
Description/Abstract:
Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
La2(SiO3)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd(HO)3 / P6_3/m (176) / materials id 625397
Description/Abstract:
Ab-initio phonon calculation for Nd(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Nd(HO)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Ti(SiO3)3 / P6_3/m (176) / materials id 6810
Description/Abstract:
Ab-initio phonon calculation for K2Ti(SiO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K2Ti(SiO3)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrCl3 / P6_3/m (176) / materials id 23211
Description/Abstract:
Ab-initio phonon calculation for PrCl3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3/m (176)
,
Phonon
, and
PrCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba(BiS2)2 / P6_3/m (176) / materials id 28057
Description/Abstract:
Ab-initio phonon calculation for Ba(BiS2)2 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba(BiS2)2
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tl3BO3 / P6_3/m (176) / materials id 4584
Description/Abstract:
Ab-initio phonon calculation for Tl3BO3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/m (176)
,
Phonon
, and
Tl3BO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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89
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MDR phonon calculation database
89
Keyword
P6_3/m (176)
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Phonon
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NIMS
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Creative Commons BY Attribution 4.0 International
89
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Atsushi Togo
89
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MEXT
89
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VASP
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phonopy
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spglib
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