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Pnma (62)
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Ab-initio phonon calculation for LiMgAsO4 / Pnma (62) / materials id 8870
Description/Abstract:
Ab-initio phonon calculation for LiMgAsO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiMgAsO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti2Ag2P2S11 / Pnma (62) / materials id 623058
Description/Abstract:
Ab-initio phonon calculation for Ti2Ag2P2S11 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
Ti2Ag2P2S11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LuCuS2 / Pnma (62) / materials id 12457
Description/Abstract:
Ab-initio phonon calculation for LuCuS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LuCuS2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Zn2BiPO6 / Pnma (62) / materials id 554906
Description/Abstract:
Ab-initio phonon calculation for Zn2BiPO6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Zn2BiPO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2Y2Si4H2CO16 / Pnma (62) / materials id 720719
Description/Abstract:
Ab-initio phonon calculation for Ca2Y2Si4H2CO16 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ca2Y2Si4H2CO16
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PbF2 / Pnma (62) / materials id 2511
Description/Abstract:
Ab-initio phonon calculation for PbF2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
PbF2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3SiO / Pnma (62) / materials id 755363
Description/Abstract:
Ab-initio phonon calculation for Ba3SiO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ba3SiO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3NbSe4 / Pnma (62) / materials id 17283
Description/Abstract:
Ab-initio phonon calculation for K3NbSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3NbSe4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TbCuPbSe3 / Pnma (62) / materials id 601286
Description/Abstract:
Ab-initio phonon calculation for TbCuPbSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
TbCuPbSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) / materials id 554796
Description/Abstract:
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSc3AgS6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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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Rights Statement Sim
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839
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839
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Atsushi Togo
839
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MEXT
839
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VASP
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phonopy
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spglib
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