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Ab-initio phonon calculation for TlHg3Sb2Br3 / Pbcm (57) / materials id 571582
Description/Abstract:
Ab-initio phonon calculation for TlHg3Sb2Br3 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Pbcm (57)
,
Phonon
, and
TlHg3Sb2Br3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ta7InO19 / P-6c2 (188) / materials id 772869
Description/Abstract:
Ab-initio phonon calculation for Ta7InO19 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-6c2 (188)
,
Phonon
, and
Ta7InO19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca3(AlN2)2 / P2_12_12_1 (19) / materials id 29820
Description/Abstract:
Ab-initio phonon calculation for Ca3(AlN2)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Ca3(AlN2)2
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) / materials id 754572
Description/Abstract:
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaCa2I6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2LiAlH6 / Fm-3m (225) / materials id 24411
Description/Abstract:
Ab-initio phonon calculation for K2LiAlH6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2LiAlH6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3AuO / Pm-3m (221) / materials id 9200
Description/Abstract:
Ab-initio phonon calculation for K3AuO / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3AuO
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti(SiO3)2 / Pbca (61) / materials id 766596
Description/Abstract:
Ab-initio phonon calculation for Ti(SiO3)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pbca (61)
,
Phonon
, and
Ti(SiO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NdBi2IO4 / P4/mmm (123) / materials id 549333
Description/Abstract:
Ab-initio phonon calculation for NdBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NdBi2IO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiPN2 / I-42d (122) / materials id 3524
Description/Abstract:
Ab-initio phonon calculation for LiPN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-42d (122)
,
LiPN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrTeO4 / Pbcn (60) / materials id 4274
Description/Abstract:
Ab-initio phonon calculation for SrTeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbcn (60)
,
Phonon
, and
SrTeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
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C2/c (15)
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10,137
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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10,034
simulations
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
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10,137
phonopy
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spglib
10,137
phono3py
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