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Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600039
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / C2/c (15) / materials id 12787
Description/Abstract:
Ab-initio phonon calculation for SiO2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 600033
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Im-3m (229)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / I4/mcm (140) / materials id 554543
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mcm (140)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / I4_1/amd (141) / materials id 553993
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4_1/amd (141)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 560973
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / P3_121 (152) / materials id 7000
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P3_121 (152)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Cmmm (65) / materials id 560998
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmmm (65)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600004
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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65
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MDR phonon calculation database
65
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Phonon
65
SiO2
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Cmcm (63)
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65
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65
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Creative Commons BY Attribution 4.0 International
65
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simulation
65
Author
Atsushi Togo
65
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MEXT
65
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VASP
65
phonopy
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spglib
65