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Ab-initio phonon calculation for BaWN3 / C2/m (12) / materials id 989636
Description/Abstract:
Ab-initio phonon calculation for BaWN3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaWN3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Hg2PCl2 / C2/m (12) / materials id 29679
Description/Abstract:
Ab-initio phonon calculation for Hg2PCl2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Hg2PCl2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for K2NaBP2 / C2/m (12) / materials id 567836
Description/Abstract:
Ab-initio phonon calculation for K2NaBP2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
K2NaBP2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sm2Zr2O7 / C2/m (12) / materials id 530294
Description/Abstract:
Ab-initio phonon calculation for Sm2Zr2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Phonon
, and
Sm2Zr2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sr9Zn4(CuO7)2 / C2/m (12) / materials id 555609
Description/Abstract:
Ab-initio phonon calculation for Sr9Zn4(CuO7)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
Phonon
, and
Sr9Zn4(CuO7)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Tl2O / C2/m (12) / materials id 551470
Description/Abstract:
Ab-initio phonon calculation for Tl2O / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
Phonon
, and
Tl2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Tb5Se2Cl3O10 / C2/m (12) / materials id 555909
Description/Abstract:
Ab-initio phonon calculation for Tb5Se2Cl3O10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/m (12)
,
Phonon
, and
Tb5Se2Cl3O10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sr5Nb4O15 / C2/m (12) / materials id 561133
Description/Abstract:
Ab-initio phonon calculation for Sr5Nb4O15 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Phonon
, and
Sr5Nb4O15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for K2Ti2O5 / C2/m (12) / materials id 28075
Description/Abstract:
Ab-initio phonon calculation for K2Ti2O5 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
K2Ti2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for SnH4(NF)2 / C2/m (12) / materials id 643902
Description/Abstract:
Ab-initio phonon calculation for SnH4(NF)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Phonon
, and
SnH4(NF)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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Atsushi Togo
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MEXT
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phonopy
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spglib
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