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MDR phonon calculation database
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Ab-initio phonon calculation for YOF / P4/nmm (129) / materials id 10219
Description/Abstract:
Ab-initio phonon calculation for YOF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P4/nmm (129)
,
Phonon
, and
YOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaB4O7 / Pnma (62) / materials id 556974
Description/Abstract:
Ab-initio phonon calculation for BaB4O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaB4O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2O3 / Ia-3 (206) / materials id 218
Description/Abstract:
Ab-initio phonon calculation for Sm2O3 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ia-3 (206)
,
Phonon
, and
Sm2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrAgB7O12 / C2/c (15) / materials id 554259
Description/Abstract:
Ab-initio phonon calculation for SrAgB7O12 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Phonon
, and
SrAgB7O12
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3P6N11 / P4_132 (213) / materials id 16107
Description/Abstract:
Ab-initio phonon calculation for Rb3P6N11 / P4_132 (213) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_132 (213)
,
Phonon
, and
Rb3P6N11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaGe2N3 / Cmc2_1 (36) / materials id 14433
Description/Abstract:
Ab-initio phonon calculation for NaGe2N3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
NaGe2N3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) / materials id 15317
Description/Abstract:
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaHoF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) / materials id 15500
Description/Abstract:
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-43n (218)
,
Phonon
, and
Sr4TiP4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2CuSb / Cmcm (63) / materials id 10381
Description/Abstract:
Ab-initio phonon calculation for K2CuSb / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NdSeF / P4/nmm (129) / materials id 12620
Description/Abstract:
Ab-initio phonon calculation for NdSeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NdSeF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,034
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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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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