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Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) / materials id 541732
Description/Abstract:
Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Al3Pb5F19
,
I4cm (108)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) / materials id 557758
Description/Abstract:
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LaMg(BO2)5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) / materials id 5487
Description/Abstract:
Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/ncc (130)
,
Phonon
, and
Sr3SiO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221
Description/Abstract:
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca2Hf7O16
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NdZnPO / R-3m (166) / materials id 9518
Description/Abstract:
Ab-initio phonon calculation for NdZnPO / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NdZnPO
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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
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
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
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
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
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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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10,040
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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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10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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Science and Technology of Advanced Materials: Methods
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