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Phonon
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Pnma (62)
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Ab-initio phonon calculation for BaSO4 / Pnma (62) / materials id 3164
Description/Abstract:
Ab-initio phonon calculation for BaSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaSO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(CuSe)2 / Pnma (62) / materials id 4473
Description/Abstract:
Ab-initio phonon calculation for Ba(CuSe)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(CuSe)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755759
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(CuS)2 / Pnma (62) / materials id 5970
Description/Abstract:
Ab-initio phonon calculation for Ba(CuS)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba(CuS)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KBaNbS4 / Pnma (62) / materials id 16780
Description/Abstract:
Ab-initio phonon calculation for KBaNbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KBaNbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3PO4 / Pnma (62) / materials id 558170
Description/Abstract:
Ab-initio phonon calculation for Rb3PO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3PO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(AlS2)2 / Pnma (62) / materials id 3872
Description/Abstract:
Ab-initio phonon calculation for Mg(AlS2)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg(AlS2)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba7Sn3Se13 / Pnma (62) / materials id 569754
Description/Abstract:
Ab-initio phonon calculation for Ba7Sn3Se13 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba7Sn3Se13
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2Al3Si3HO13 / Pnma (62) / materials id 23915
Description/Abstract:
Ab-initio phonon calculation for Ca2Al3Si3HO13 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca2Al3Si3HO13
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2TiO5 / Pnma (62) / materials id 770806
Description/Abstract:
Ab-initio phonon calculation for Sm2TiO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Sm2TiO5
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
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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
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phonopy
839
spglib
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