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Ab-initio phonon calculation for Mg2TiO4 / P4_122 (91) / materials id 757031
Description/Abstract:
Ab-initio phonon calculation for Mg2TiO4 / P4_122 (91) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg2TiO4
,
P4_122 (91)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3CuO3 / Cmce (64) / materials id 28556
Description/Abstract:
Ab-initio phonon calculation for Na3CuO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Na3CuO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrBi2BrO4 / P4/mmm (123) / materials id 551900
Description/Abstract:
Ab-initio phonon calculation for PrBi2BrO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/mmm (123)
,
Phonon
, and
PrBi2BrO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2Nb2O7 / P2_1 (4) / materials id 13979
Description/Abstract:
Ab-initio phonon calculation for Ca2Nb2O7 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2Nb2O7
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ScCuS2 / P3m1 (156) / materials id 6980
Description/Abstract:
Ab-initio phonon calculation for ScCuS2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P3m1 (156)
,
Phonon
, and
ScCuS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsCu3O2 / P-3m1 (164) / materials id 553303
Description/Abstract:
Ab-initio phonon calculation for CsCu3O2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsCu3O2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsMnBr3 / P6_3/mmc (194) / materials id 23048
Description/Abstract:
Ab-initio phonon calculation for CsMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsMnBr3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2ZnGeO4 / Pc (7) / materials id 8184
Description/Abstract:
Ab-initio phonon calculation for Li2ZnGeO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2ZnGeO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Sn2O3 / I2_13 (199) / materials id 8624
Description/Abstract:
Ab-initio phonon calculation for K2Sn2O3 / I2_13 (199) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I2_13 (199)
,
K2Sn2O3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaPt2S3 / P4_12_12 (92) / materials id 29289
Description/Abstract:
Ab-initio phonon calculation for BaPt2S3 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaPt2S3
,
P4_12_12 (92)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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