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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
Ab-initio phonon calculation for ScGaO3 / P6_3cm (185) / materials id 769079
Description/Abstract:
Ab-initio phonon calculation for ScGaO3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3cm (185)
,
Phonon
, and
ScGaO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) / materials id 7079
Description/Abstract:
Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
CaZrSi2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrGa2(SiO4)2 / P2_1/c (14) / materials id 14235
Description/Abstract:
Ab-initio phonon calculation for SrGa2(SiO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrGa2(SiO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pr3CuGeSe7 / P6_3 (173) / materials id 571347
Description/Abstract:
Ab-initio phonon calculation for Pr3CuGeSe7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3 (173)
,
Phonon
, and
Pr3CuGeSe7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2BaZnO5 / Pnma (62) / materials id 18084
Description/Abstract:
Ab-initio phonon calculation for Tb2BaZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Tb2BaZnO5
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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10,034
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10,034
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10,043
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10,040
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10,034
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Atsushi Togo
10,034
Hiori Kino
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Takashi Miyake
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10,043
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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Physical Review Applied
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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