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Ab-initio phonon calculation for La2O3 / P-3m1 (164) / materials id 1968
Description/Abstract:
Ab-initio phonon calculation for La2O3 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La2O3
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaErF4 / I4_1/amd (141) / materials id 674459
Description/Abstract:
Ab-initio phonon calculation for NaErF4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
NaErF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Zn2AsHO5 / Pnnm (58) / materials id 721702
Description/Abstract:
Ab-initio phonon calculation for Zn2AsHO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnnm (58)
, and
Zn2AsHO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for P2Pb8O13 / C2/m (12) / materials id 31069
Description/Abstract:
Ab-initio phonon calculation for P2Pb8O13 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
P2Pb8O13
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) / materials id 867570
Description/Abstract:
Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb4Sb2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) / materials id 770936
Description/Abstract:
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Sc2O5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YBrO / P4/nmm (129) / materials id 768906
Description/Abstract:
Ab-initio phonon calculation for YBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P4/nmm (129)
,
Phonon
, and
YBrO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbAsF6 / R-3 (148) / materials id 9819
Description/Abstract:
Ab-initio phonon calculation for RbAsF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3 (148)
, and
RbAsF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li3VS4 / P-43m (215) / materials id 760375
Description/Abstract:
Ab-initio phonon calculation for Li3VS4 / P-43m (215) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li3VS4
,
P-43m (215)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr(PrSe2)2 / I-42d (122) / materials id 37859
Description/Abstract:
Ab-initio phonon calculation for Sr(PrSe2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
I-42d (122)
,
Phonon
, and
Sr(PrSe2)2
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
P2_1/c (14)
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10,034
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
[remove]
10,034
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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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