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Ab-initio phonon calculation for Lu2TeO6 / P4_2/mnm (136) / materials id 756389
Description/Abstract:
Ab-initio phonon calculation for Lu2TeO6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Lu2TeO6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaZrF6 / Cmme (67) / materials id 8232
Description/Abstract:
Ab-initio phonon calculation for BaZrF6 / Cmme (67) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaZrF6
,
Cmme (67)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Mg2BiPO6 / Pnma (62) / materials id 558660
Description/Abstract:
Ab-initio phonon calculation for Mg2BiPO6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Mg2BiPO6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TlI3 / Pnma (62) / materials id 28329
Description/Abstract:
Ab-initio phonon calculation for TlI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
TlI3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsAsOF4 / P2_1/c (14) / materials id 562403
Description/Abstract:
Ab-initio phonon calculation for CsAsOF4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsAsOF4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ErPS4 / I4_1/acd (142) / materials id 5036
Description/Abstract:
Ab-initio phonon calculation for ErPS4 / I4_1/acd (142) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
ErPS4
,
I4_1/acd (142)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) / materials id 6501
Description/Abstract:
Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaHo2ZnO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CaClF / P4/nmm (129) / materials id 27546
Description/Abstract:
Ab-initio phonon calculation for CaClF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaClF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tm2TeO6 / P2_12_12_1 (19) / materials id 780172
Description/Abstract:
Ab-initio phonon calculation for Tm2TeO6 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Tm2TeO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaTe2F10 / C2/c (15) / materials id 29177
Description/Abstract:
Ab-initio phonon calculation for BaTe2F10 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTe2F10
,
C2/c (15)
, and
Phonon
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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10,034
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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
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10,034
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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