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Ab-initio phonon calculation for Li2TiO3 / C2/c (15) / materials id 36864
Description/Abstract:
Ab-initio phonon calculation for Li2TiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Li2TiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) / materials id 717
Description/Abstract:
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
B2O3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) / materials id 23651
Description/Abstract:
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Na4Al3Ge3IO12
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) / materials id 557233
Description/Abstract:
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlTlF4
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrHgO2 / R-3m (166) / materials id 978857
Description/Abstract:
Ab-initio phonon calculation for SrHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
SrHgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cd3(ClO)2 / P2_1/c (14) / materials id 29297
Description/Abstract:
Ab-initio phonon calculation for Cd3(ClO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd3(ClO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3NaNd3(Si3O10)2 / Ama2 (40) / materials id 559502
Description/Abstract:
Ab-initio phonon calculation for Ba3NaNd3(Si3O10)2 / Ama2 (40) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ama2 (40)
,
Ba3NaNd3(Si3O10)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TlI / Fm-3m (225) / materials id 571102
Description/Abstract:
Ab-initio phonon calculation for TlI / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KNbO3 / Pm-3m (221) / materials id 935811
Description/Abstract:
Ab-initio phonon calculation for KNbO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KNbO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2NbAgSe4 / Fddd (70) / materials id 14637
Description/Abstract:
Ab-initio phonon calculation for Cs2NbAgSe4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2NbAgSe4
,
Fddd (70)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,034
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MDR phonon calculation database
10,034
Keyword
Phonon
10,034
P2_1/c (14)
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C2/c (15)
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10,034
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10,034
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
[remove]
10,034
Author
Atsushi Togo
10,034
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MEXT
10,034
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VASP
10,034
phonopy
10,034
spglib
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