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C2/m (12)
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Ab-initio phonon calculation for AgPS3 / C2/m (12) / materials id 5470
Description/Abstract:
Ab-initio phonon calculation for AgPS3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AgPS3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NdO2 / C2/m (12) / materials id 31049
Description/Abstract:
Ab-initio phonon calculation for NdO2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
NdO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2InP2S7 / C2/m (12) / materials id 862780
Description/Abstract:
Ab-initio phonon calculation for K2InP2S7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K2InP2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2LaNbO6 / C2/m (12) / materials id 553281
Description/Abstract:
Ab-initio phonon calculation for Ba2LaNbO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2LaNbO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2LaAg5S6 / C2/m (12) / materials id 553874
Description/Abstract:
Ab-initio phonon calculation for Ba2LaAg5S6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2LaAg5S6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) / materials id 560170
Description/Abstract:
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/m (12)
,
Nd5Te2Cl3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ho2Ge2O7 / C2/m (12) / materials id 753693
Description/Abstract:
Ab-initio phonon calculation for Ho2Ge2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Ho2Ge2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr2C(NCl)2 / C2/m (12) / materials id 567655
Description/Abstract:
Ab-initio phonon calculation for Sr2C(NCl)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/m (12)
,
Phonon
, and
Sr2C(NCl)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for RbAuBr3 / C2/m (12) / materials id 27300
Description/Abstract:
Ab-initio phonon calculation for RbAuBr3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
RbAuBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for AsS2NF6 / C2/m (12) / materials id 8500
Description/Abstract:
Ab-initio phonon calculation for AsS2NF6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AsS2NF6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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Phonon
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NIMS
368
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368
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368
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368
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Atsushi Togo
368
Funder
MEXT
368
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VASP
368
phonopy
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spglib
368