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Ab-initio phonon calculation for Si2N2O / Cmc2_1 (36) / materials id 4497
Description/Abstract:
Ab-initio phonon calculation for Si2N2O / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Si2N2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2MgAlF7 / Imma (74) / materials id 6319
Description/Abstract:
Ab-initio phonon calculation for Na2MgAlF7 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Imma (74)
,
Na2MgAlF7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tm3TaO7 / Cmcm (63) / materials id 779012
Description/Abstract:
Ab-initio phonon calculation for Tm3TaO7 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
Phonon
, and
Tm3TaO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3GaTe3 / P2_1/c (14) / materials id 541688
Description/Abstract:
Ab-initio phonon calculation for K3GaTe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K3GaTe3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiUNbO6 / P2_1/c (14) / materials id 17807
Description/Abstract:
Ab-initio phonon calculation for LiUNbO6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiUNbO6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbLiO / Pnma (62) / materials id 28545
Description/Abstract:
Ab-initio phonon calculation for RbLiO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
RbLiO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for P2O5 / Fdd2 (43) / materials id 2452
Description/Abstract:
Ab-initio phonon calculation for P2O5 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fdd2 (43)
,
P2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaTa7O19 / P-6c2 (188) / materials id 14485
Description/Abstract:
Ab-initio phonon calculation for LaTa7O19 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LaTa7O19
,
P-6c2 (188)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Be3N2 / P6_3/mmc (194) / materials id 6977
Description/Abstract:
Ab-initio phonon calculation for Be3N2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Be3N2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) / materials id 558831
Description/Abstract:
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
KNdPdO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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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Creative Commons BY Attribution 4.0 International
10,034
Data origin
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10,034
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Atsushi Togo
10,034
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MEXT
10,034
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10,034
phonopy
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spglib
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