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Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233
Description/Abstract:
Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaSr3RuO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) / materials id 758868
Description/Abstract:
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
MgBP(H3O4)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li4H6Os / R-3c (167) / materials id 642996
Description/Abstract:
Ab-initio phonon calculation for Li4H6Os / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li4H6Os
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb3CO3F / R-3c (167) / materials id 8774
Description/Abstract:
Ab-initio phonon calculation for Rb3CO3F / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3c (167)
, and
Rb3CO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) / materials id 541282
Description/Abstract:
Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KZr2(AsO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) / materials id 541238
Description/Abstract:
Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KTi2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rh2O3 / R-3c (167) / materials id 542734
Description/Abstract:
Ab-initio phonon calculation for Rh2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Rh2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3CuS2 / R-3c (167) / materials id 867700
Description/Abstract:
Ab-initio phonon calculation for Li3CuS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li3CuS2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlF3 / R-3c (167) / materials id 468
Description/Abstract:
Ab-initio phonon calculation for AlF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) / materials id 10299
Description/Abstract:
Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca4PdO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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MDR phonon calculation database
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