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Ab-initio phonon calculation for Ba(SbSe2)2 / P2_1/c (14) / materials id 4727
Description/Abstract:
Ab-initio phonon calculation for Ba(SbSe2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba(SbSe2)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs4SiSe4 / P-43n (218) / materials id 29834
Description/Abstract:
Ab-initio phonon calculation for Cs4SiSe4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs4SiSe4
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaNaP3H3(NO2)3 / C2/m (12) / materials id 866302
Description/Abstract:
Ab-initio phonon calculation for BaNaP3H3(NO2)3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
BaNaP3H3(NO2)3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaLi3GeO4 / I4_1/a (88) / materials id 561254
Description/Abstract:
Ab-initio phonon calculation for NaLi3GeO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/a (88)
,
NaLi3GeO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CdI2 / P-3m1 (164) / materials id 567442
Description/Abstract:
Ab-initio phonon calculation for CdI2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdI2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrCa(CO3)2 / Pmc2_1 (26) / materials id 559653
Description/Abstract:
Ab-initio phonon calculation for SrCa(CO3)2 / Pmc2_1 (26) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Phonon
,
Pmc2_1 (26)
, and
SrCa(CO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for OsO4 / C2/c (15) / materials id 540783
Description/Abstract:
Ab-initio phonon calculation for OsO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
OsO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaCO3 / C2 (5) / materials id 561412
Description/Abstract:
Ab-initio phonon calculation for CaCO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
CaCO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(IO3)2 / P2_1/c (14) / materials id 771040
Description/Abstract:
Ab-initio phonon calculation for Mg(IO3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Mg(IO3)2
,
P2_1/c (14)
, and
Phonon
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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National Institute for Materials Science
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National Institute for Materials Science
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