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Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) / materials id 30107
Description/Abstract:
Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pmma (51)
, and
RbNb4Cl11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Al(PO3)3 / Cc (9) / materials id 540549
Description/Abstract:
Ab-initio phonon calculation for Al(PO3)3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al(PO3)3
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Be2C / Fm-3m (225) / materials id 1569
Description/Abstract:
Ab-initio phonon calculation for Be2C / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Be2C
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) / materials id 29763
Description/Abstract:
Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbMnBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Zn(SiO3)2 / C222_1 (20) / materials id 555318
Description/Abstract:
Ab-initio phonon calculation for K2Zn(SiO3)2 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C222_1 (20)
,
K2Zn(SiO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrHCl / P4/nmm (129) / materials id 23860
Description/Abstract:
Ab-initio phonon calculation for SrHCl / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4/nmm (129)
,
Phonon
, and
SrHCl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrZrS3 / Pnma (62) / materials id 5193
Description/Abstract:
Ab-initio phonon calculation for SrZrS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrZrS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) / materials id 752411
Description/Abstract:
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Pb2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) / materials id 8070
Description/Abstract:
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2BeSiO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Ga3As4 / Pnna (52) / materials id 567524
Description/Abstract:
Ab-initio phonon calculation for K3Ga3As4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3Ga3As4
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,144
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Koichi Sakamoto
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Masashi Ishii
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SUMIYA, Masatomo
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