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Ab-initio phonon calculation for CsMgI3 / P6_3/mmc (194) / materials id 29751
Description/Abstract:
Ab-initio phonon calculation for CsMgI3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsMgI3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La3Pt3O11 / Pn-3 (201) / materials id 768523
Description/Abstract:
Ab-initio phonon calculation for La3Pt3O11 / Pn-3 (201) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La3Pt3O11
,
Phonon
, and
Pn-3 (201)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for IrF3 / R-3c (167) / materials id 2437
Description/Abstract:
Ab-initio phonon calculation for IrF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
IrF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Pd(PbCl3)2 / P2_1/c (14) / materials id 28982
Description/Abstract:
Ab-initio phonon calculation for Pd(PbCl3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/c (14)
,
Pd(PbCl3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ga2S3 / Cc (9) / materials id 539
Description/Abstract:
Ab-initio phonon calculation for Ga2S3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
Cc (9)
,
Ga2S3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrNb2Bi2O9 / Cmc2_1 (36) / materials id 23614
Description/Abstract:
Ab-initio phonon calculation for SrNb2Bi2O9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
SrNb2Bi2O9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2SbF5 / Cmcm (63) / materials id 3379
Description/Abstract:
Ab-initio phonon calculation for K2SbF5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2SbF5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ho2Ge2O7 / C2/m (12) / materials id 753693
Description/Abstract:
Ab-initio phonon calculation for Ho2Ge2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Ho2Ge2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sm5AgSe8 / I-4 (82) / materials id 38805
Description/Abstract:
Ab-initio phonon calculation for Sm5AgSe8 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-4 (82)
,
Phonon
, and
Sm5AgSe8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sn2OF2 / P4_2/nmc (137) / materials id 753683
Description/Abstract:
Ab-initio phonon calculation for Sn2OF2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/nmc (137)
,
Phonon
, and
Sn2OF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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10,137
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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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Keyword
Phonon
10,137
P2_1/c (14)
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Pnma (62)
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10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
103
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
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10,137
phono3py
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