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Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) / materials id 561249
Description/Abstract:
Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba17Er16Zn8Pt4O57
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) / materials id 4991
Description/Abstract:
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tb2Sn2O7
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 Sr4Al14O25 / Pmma (51) / materials id 5512
Description/Abstract:
Ab-initio phonon calculation for Sr4Al14O25 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
Pmma (51)
, and
Sr4Al14O25
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaZnSiO4 / P6_3 (173) / materials id 561305
Description/Abstract:
Ab-initio phonon calculation for BaZnSiO4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaZnSiO4
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaTmO2 / I4_1/amd (141) / materials id 754334
Description/Abstract:
Ab-initio phonon calculation for NaTmO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
NaTmO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsB3O5 / P2_1 (4) / materials id 3977
Description/Abstract:
Ab-initio phonon calculation for CsB3O5 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CsB3O5
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CuAs2Pb6Cl7O6 / R3 (146) / materials id 677164
Description/Abstract:
Ab-initio phonon calculation for CuAs2Pb6Cl7O6 / R3 (146) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CuAs2Pb6Cl7O6
,
Phonon
, and
R3 (146)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KClO3 / R3m (160) / materials id 550506
Description/Abstract:
Ab-initio phonon calculation for KClO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KClO3
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LaNb3O9 / Cm (8) / materials id 757457
Description/Abstract:
Ab-initio phonon calculation for LaNb3O9 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
LaNb3O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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10,034
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MDR phonon calculation database
10,034
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Phonon
10,034
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
Data origin
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10,034
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Atsushi Togo
10,034
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MEXT
10,034
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10,034
phonopy
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spglib
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