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MDR phonon calculation database
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31.
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081
Description/Abstract:
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
NaMg2H3(SO4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
32.
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400
Description/Abstract:
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
RbCdBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
33.
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177
Description/Abstract:
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2ZnCl4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
34.
Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263
Description/Abstract:
Ab-initio phonon calculation for KErTe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KErTe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
35.
Ab-initio phonon calculation for Cs2SnF6 / P-3m1 (164) / materials id 7297
Description/Abstract:
Ab-initio phonon calculation for Cs2SnF6 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs2SnF6
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
36.
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719
Description/Abstract:
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiPr(SO4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
37.
Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782
Description/Abstract:
Ab-initio phonon calculation for KPrS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KPrS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
38.
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282
Description/Abstract:
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba2AlInO5
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
39.
Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) / materials id 30905
Description/Abstract:
Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba3(BN2)2
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
40.
Ab-initio phonon calculation for YNbO4 / C2/c (15) / materials id 5387
Description/Abstract:
Ab-initio phonon calculation for YNbO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/c (15)
,
Phonon
, and
YNbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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Dataset
10,034
Collection
MDR phonon calculation database
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10,034
Keyword
Phonon
10,034
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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NIMS
10,034
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10,034
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open
10,034
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
10,034
Author
Atsushi Togo
10,034
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034