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Ab-initio phonon calculation for Sc2Ge2O7 / Fd-3m (227) / materials id 757450
Description/Abstract:
Ab-initio phonon calculation for Sc2Ge2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sc2Ge2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Cd(RhO2)2 / Fd-3m (227) / materials id 14100
Description/Abstract:
Ab-initio phonon calculation for Cd(RhO2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd(RhO2)2
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for MgIn2O4 / Fd-3m (227) / materials id 7831
Description/Abstract:
Ab-initio phonon calculation for MgIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
MgIn2O4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Cd(GaO2)2 / Fd-3m (227) / materials id 3443
Description/Abstract:
Ab-initio phonon calculation for Cd(GaO2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd(GaO2)2
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / Fd-3m (227) / materials id 4590
Description/Abstract:
Ab-initio phonon calculation for Mg(GaO2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fd-3m (227)
,
Mg(GaO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Sr2LiCBr3N2 / Fd-3m (227) / materials id 569782
Description/Abstract:
Ab-initio phonon calculation for Sr2LiCBr3N2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sr2LiCBr3N2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Lu2Pt2O7 / Fd-3m (227) / materials id 753414
Description/Abstract:
Ab-initio phonon calculation for Lu2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Lu2Pt2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na3MgC2BrO6 / Fd-3m (227) / materials id 646116
Description/Abstract:
Ab-initio phonon calculation for Na3MgC2BrO6 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fd-3m (227)
,
Na3MgC2BrO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for La2Ce2O7 / Fd-3m (227) / materials id 755450
Description/Abstract:
Ab-initio phonon calculation for La2Ce2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
La2Ce2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Mg2GeO4 / Fd-3m (227) / materials id 3904
Description/Abstract:
Ab-initio phonon calculation for Mg2GeO4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Mg2GeO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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142
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MDR phonon calculation database
142
Keyword
Fd-3m (227)
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142
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142
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NIMS
142
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142
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142
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Atsushi Togo
142
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MEXT
142
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VASP
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phonopy
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spglib
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