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I4/m (87)
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Ab-initio phonon calculation for Ba2HoTaO6 / I4/m (87) / materials id 13000
Description/Abstract:
Ab-initio phonon calculation for Ba2HoTaO6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2HoTaO6
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsKNa2Li12(SiO4)4 / I4/m (87) / materials id 17718
Description/Abstract:
Ab-initio phonon calculation for CsKNa2Li12(SiO4)4 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
CsKNa2Li12(SiO4)4
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Bi4RuI2 / I4/m (87) / materials id 541771
Description/Abstract:
Ab-initio phonon calculation for Bi4RuI2 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Bi4RuI2
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2TaGaO6 / I4/m (87) / materials id 12427
Description/Abstract:
Ab-initio phonon calculation for Sr2TaGaO6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4/m (87)
,
Phonon
, and
Sr2TaGaO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2AlH8S2Cl(O6F)2 / I4/m (87) / materials id 643446
Description/Abstract:
Ab-initio phonon calculation for Ca2AlH8S2Cl(O6F)2 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ca2AlH8S2Cl(O6F)2
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl9SbSe6 / I4/m (87) / materials id 676274
Description/Abstract:
Ab-initio phonon calculation for Tl9SbSe6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/m (87)
,
Phonon
, and
Tl9SbSe6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2Zr6BCl17 / I4/m (87) / materials id 568105
Description/Abstract:
Ab-initio phonon calculation for Ba2Zr6BCl17 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2Zr6BCl17
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) / materials id 561249
Description/Abstract:
Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba17Er16Zn8Pt4O57
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2TiSi4O11 / I4/m (87) / materials id 556283
Description/Abstract:
Ab-initio phonon calculation for Na2TiSi4O11 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4/m (87)
,
Na2TiSi4O11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Ga2Te5 / I4/m (87) / materials id 2371
Description/Abstract:
Ab-initio phonon calculation for Ga2Te5 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ga2Te5
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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41
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MDR phonon calculation database
41
Keyword
I4/m (87)
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NIMS
41
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Creative Commons BY Attribution 4.0 International
41
Data origin
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41
Author
Atsushi Togo
41
Funder
MEXT
41
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VASP
41
phonopy
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spglib
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