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MDR phonon calculation database
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Ab-initio phonon calculation for CsNdHgSe3 / Cmcm (63) / materials id 510065
Description/Abstract:
Ab-initio phonon calculation for CsNdHgSe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
CsNdHgSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CaMgB2O5 / P2_1/c (14) / materials id 6585
Description/Abstract:
Ab-initio phonon calculation for CaMgB2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CaMgB2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaInO2 / R-3m (166) / materials id 5175
Description/Abstract:
Ab-initio phonon calculation for NaInO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaInO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiSn(PO3)3 / P-6c2 (188) / materials id 26897
Description/Abstract:
Ab-initio phonon calculation for LiSn(PO3)3 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiSn(PO3)3
,
P-6c2 (188)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KTh6F25 / R-3m (166) / materials id 27185
Description/Abstract:
Ab-initio phonon calculation for KTh6F25 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KTh6F25
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cd(BO2)2 / P6_3 (173) / materials id 13335
Description/Abstract:
Ab-initio phonon calculation for Cd(BO2)2 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd(BO2)2
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrAl22O34 / P2_1/m (11) / materials id 531590
Description/Abstract:
Ab-initio phonon calculation for SrAl22O34 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/m (11)
,
Phonon
, and
SrAl22O34
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Lu2PdO4 / Cmce (64) / materials id 17662
Description/Abstract:
Ab-initio phonon calculation for Lu2PdO4 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Lu2PdO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BaSi3SnO9 / P-6c2 (188) / materials id 18502
Description/Abstract:
Ab-initio phonon calculation for BaSi3SnO9 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaSi3SnO9
,
P-6c2 (188)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr2SnO4 / Cmce (64) / materials id 4941
Description/Abstract:
Ab-initio phonon calculation for Sr2SnO4 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Phonon
, and
Sr2SnO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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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)
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Pnma (62)
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C2/c (15)
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C2/m (12)
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NIMS
10,034
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10,034
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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