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P4_2/ncm (138)
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Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) / materials id 20006
Description/Abstract:
Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
ZnPb2F6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2Se2O7 / P4_2/ncm (138) / materials id 30313
Description/Abstract:
Ab-initio phonon calculation for Tb2Se2O7 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
Tb2Se2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Zr(Se2Cl3)2 / P4_2/ncm (138) / materials id 619928
Description/Abstract:
Ab-initio phonon calculation for Zr(Se2Cl3)2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
Zr(Se2Cl3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr2SnO4 / P4_2/ncm (138) / materials id 4287
Description/Abstract:
Ab-initio phonon calculation for Sr2SnO4 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
Sr2SnO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) / materials id 29420
Description/Abstract:
Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Hf(Se2Cl3)2
,
P4_2/ncm (138)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr2HfO4 / P4_2/ncm (138) / materials id 754761
Description/Abstract:
Ab-initio phonon calculation for Sr2HfO4 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
Sr2HfO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for AuBr / P4_2/ncm (138) / materials id 505366
Description/Abstract:
Ab-initio phonon calculation for AuBr / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AuBr
,
P4_2/ncm (138)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for SiO2 / P4_2/ncm (138) / materials id 600109
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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MDR phonon calculation database
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Keyword
P4_2/ncm (138)
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Creative Commons BY Attribution 4.0 International
8
Data origin
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8
Author
Atsushi Togo
8
Funder
MEXT
8
Software
VASP
8
phonopy
8
spglib
8