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Ab-initio phonon calculation for GaTe / C2/m (12) / materials id 542812
Description/Abstract:
Ab-initio phonon calculation for GaTe / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
GaTe
, 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 BaTi2O5 / C2/m (12) / materials id 3943
Description/Abstract:
Ab-initio phonon calculation for BaTi2O5 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaTi2O5
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) / materials id 558831
Description/Abstract:
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
KNdPdO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SbSCl9 / C2/m (12) / materials id 557809
Description/Abstract:
Ab-initio phonon calculation for SbSCl9 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
SbSCl9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg(BiS2)2 / C2/m (12) / materials id 554921
Description/Abstract:
Ab-initio phonon calculation for Hg(BiS2)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Hg(BiS2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CdSb2Se3Br2 / C2/m (12) / materials id 567556
Description/Abstract:
Ab-initio phonon calculation for CdSb2Se3Br2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
CdSb2Se3Br2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaCoN3 / C2/m (12) / materials id 989643
Description/Abstract:
Ab-initio phonon calculation for LaCoN3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
LaCoN3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2Cl3 / C2/m (12) / materials id 27678
Description/Abstract:
Ab-initio phonon calculation for Y2Cl3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Phonon
, and
Y2Cl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg2AsCl2 / C2/m (12) / materials id 28224
Description/Abstract:
Ab-initio phonon calculation for Hg2AsCl2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Hg2AsCl2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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368
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368
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Atsushi Togo
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MEXT
368
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368
phonopy
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spglib
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