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Pnma (62)
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Ab-initio phonon calculation for LiInSiO4 / Pnma (62) / materials id 7205
Description/Abstract:
Ab-initio phonon calculation for LiInSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiInSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) / materials id 28316
Description/Abstract:
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3LiSi4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2BHO3 / Pnma (62) / materials id 556125
Description/Abstract:
Ab-initio phonon calculation for Na2BHO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na2BHO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NdInO3 / Pnma (62) / materials id 755138
Description/Abstract:
Ab-initio phonon calculation for NdInO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NdInO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for La5C2Br9 / Pnma (62) / materials id 29070
Description/Abstract:
Ab-initio phonon calculation for La5C2Br9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
La5C2Br9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrCO3 / Pnma (62) / materials id 3822
Description/Abstract:
Ab-initio phonon calculation for SrCO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
SrCO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NdBO3 / Pnma (62) / materials id 7238
Description/Abstract:
Ab-initio phonon calculation for NdBO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
NdBO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca3BCNCl2 / Pnma (62) / materials id 649453
Description/Abstract:
Ab-initio phonon calculation for Ca3BCNCl2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca3BCNCl2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SmSeClO3 / Pnma (62) / materials id 554063
Description/Abstract:
Ab-initio phonon calculation for SmSeClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
SmSeClO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbAlPdF6 / Pnma (62) / materials id 18453
Description/Abstract:
Ab-initio phonon calculation for RbAlPdF6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
RbAlPdF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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839
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MDR phonon calculation database
839
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Phonon
839
Pnma (62)
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839
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839
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Creative Commons BY Attribution 4.0 International
839
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simulation
839
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Atsushi Togo
839
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MEXT
839
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VASP
839
phonopy
839
spglib
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