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Fdd2 (43)
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11.
Ab-initio phonon calculation for BaTeF6 / Fdd2 (43) / materials id 556778
Description/Abstract:
Ab-initio phonon calculation for BaTeF6 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTeF6
,
Fdd2 (43)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
12.
Ab-initio phonon calculation for GeS2 / Fdd2 (43) / materials id 553973
Description/Abstract:
Ab-initio phonon calculation for GeS2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fdd2 (43)
,
GeS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
13.
Ab-initio phonon calculation for Ti(PS3)2 / Fdd2 (43) / materials id 13666
Description/Abstract:
Ab-initio phonon calculation for Ti(PS3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fdd2 (43)
,
Phonon
, and
Ti(PS3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
14.
Ab-initio phonon calculation for Na2BiO3 / Fdd2 (43) / materials id 780656
Description/Abstract:
Ab-initio phonon calculation for Na2BiO3 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fdd2 (43)
,
Na2BiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
15.
Ab-initio phonon calculation for NaLiB4O7 / Fdd2 (43) / materials id 553926
Description/Abstract:
Ab-initio phonon calculation for NaLiB4O7 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fdd2 (43)
,
NaLiB4O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
16.
Ab-initio phonon calculation for Hf(SeCl6)2 / Fdd2 (43) / materials id 571313
Description/Abstract:
Ab-initio phonon calculation for Hf(SeCl6)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fdd2 (43)
,
Hf(SeCl6)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
17.
Ab-initio phonon calculation for Hf(PS3)2 / Fdd2 (43) / materials id 14444
Description/Abstract:
Ab-initio phonon calculation for Hf(PS3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fdd2 (43)
,
Hf(PS3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
18.
Ab-initio phonon calculation for C(ClF)2 / Fdd2 (43) / materials id 22966
Description/Abstract:
Ab-initio phonon calculation for C(ClF)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C(ClF)2
,
Fdd2 (43)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
19.
Ab-initio phonon calculation for NaSi2(HO2)3 / Fdd2 (43) / materials id 697027
Description/Abstract:
Ab-initio phonon calculation for NaSi2(HO2)3 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fdd2 (43)
,
NaSi2(HO2)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
20.
Ab-initio phonon calculation for Sr3P4 / Fdd2 (43) / materials id 14288
Description/Abstract:
Ab-initio phonon calculation for Sr3P4 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fdd2 (43)
,
Phonon
, and
Sr3P4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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MDR phonon calculation database
31
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Fdd2 (43)
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Atsushi Togo
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phonopy
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spglib
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