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Ab-initio phonon calculation for Lu2MgSe4 / Fd-3m (227) / materials id 10191
Description/Abstract:
Ab-initio phonon calculation for Lu2MgSe4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Lu2MgSe4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La2Zr2O7 / Fd-3m (227) / materials id 4974
Description/Abstract:
Ab-initio phonon calculation for La2Zr2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
La2Zr2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaPrTe2 / Fd-3m (227) / materials id 11151
Description/Abstract:
Ab-initio phonon calculation for NaPrTe2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
NaPrTe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sm2Ti2O7 / Fd-3m (227) / materials id 3335
Description/Abstract:
Ab-initio phonon calculation for Sm2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Ti2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sc2CdS4 / Fd-3m (227) / materials id 10953
Description/Abstract:
Ab-initio phonon calculation for Sc2CdS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sc2CdS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La2Sn2O7 / Fd-3m (227) / materials id 4086
Description/Abstract:
Ab-initio phonon calculation for La2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
La2Sn2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Zn2Hg2OF6 / Fd-3m (227) / materials id 17972
Description/Abstract:
Ab-initio phonon calculation for Zn2Hg2OF6 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fd-3m (227)
,
Phonon
, and
Zn2Hg2OF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) / materials id 5548
Description/Abstract:
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Ta2Cd2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) / materials id 5472
Description/Abstract:
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nb2Cd2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ho2Ti2O7 / Fd-3m (227) / materials id 33948
Description/Abstract:
Ab-initio phonon calculation for Ho2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Ho2Ti2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Type of work
Dataset
142
Collection
MDR phonon calculation database
142
Keyword
Fd-3m (227)
[remove]
142
Phonon
142
Al2CdO4
1
Al2CdSe4
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NIMS
142
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142
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142
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
142
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simulation
142
Author
Atsushi Togo
142
Funder
MEXT
142
Software
VASP
142
phonopy
142
spglib
142