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Fd-3m (227)
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Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) / materials id 22961
Description/Abstract:
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Li2ZnCl4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) / materials id 4408
Description/Abstract:
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Zr2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) / materials id 752411
Description/Abstract:
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Pb2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbAlO2 / Fd-3m (227) / materials id 14070
Description/Abstract:
Ab-initio phonon calculation for RbAlO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
Phonon
, and
RbAlO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2Hf2O7 / Fd-3m (227) / materials id 557890
Description/Abstract:
Ab-initio phonon calculation for Er2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er2Hf2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ho2CdS4 / Fd-3m (227) / materials id 6942
Description/Abstract:
Ab-initio phonon calculation for Ho2CdS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Ho2CdS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pr2Sn2O7 / Fd-3m (227) / materials id 4394
Description/Abstract:
Ab-initio phonon calculation for Pr2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Pr2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mn(InS2)2 / Fd-3m (227) / materials id 22168
Description/Abstract:
Ab-initio phonon calculation for Mn(InS2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fd-3m (227)
,
Mn(InS2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Bi2Pt2O7 / Fd-3m (227) / materials id 23341
Description/Abstract:
Ab-initio phonon calculation for Bi2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Bi2Pt2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr10Al2ClF25 / Fd-3m (227) / materials id 555507
Description/Abstract:
Ab-initio phonon calculation for Sr10Al2ClF25 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sr10Al2ClF25
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
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Fd-3m (227)
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NIMS
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142
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142
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Atsushi Togo
142
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MEXT
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VASP
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phonopy
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spglib
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