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P4/ncc (130)
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Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) / materials id 5487
Description/Abstract:
Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/ncc (130)
,
Phonon
, and
Sr3SiO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Tl4SnS3 / P4/ncc (130) / materials id 9622
Description/Abstract:
Ab-initio phonon calculation for Tl4SnS3 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/ncc (130)
,
Phonon
, and
Tl4SnS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KB3(HO3)2 / P4/ncc (130) / materials id 605642
Description/Abstract:
Ab-initio phonon calculation for KB3(HO3)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KB3(HO3)2
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for La5Sb4(O4F)3 / P4/ncc (130) / materials id 559298
Description/Abstract:
Ab-initio phonon calculation for La5Sb4(O4F)3 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
La5Sb4(O4F)3
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Tl5Se2Cl / P4/ncc (130) / materials id 28920
Description/Abstract:
Ab-initio phonon calculation for Tl5Se2Cl / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4/ncc (130)
,
Phonon
, and
Tl5Se2Cl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K3IO5 / P4/ncc (130) / materials id 540618
Description/Abstract:
Ab-initio phonon calculation for K3IO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3IO5
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K5H(CN2)2 / P4/ncc (130) / materials id 777297
Description/Abstract:
Ab-initio phonon calculation for K5H(CN2)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
K5H(CN2)2
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Rb3MgH5 / P4/ncc (130) / materials id 23948
Description/Abstract:
Ab-initio phonon calculation for Rb3MgH5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/ncc (130)
,
Phonon
, and
Rb3MgH5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr(H9O5)2 / P4/ncc (130) / materials id 24312
Description/Abstract:
Ab-initio phonon calculation for Sr(H9O5)2 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/ncc (130)
,
Phonon
, and
Sr(H9O5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for K2Y4Sn2S11 / P4/ncc (130) / materials id 560785
Description/Abstract:
Ab-initio phonon calculation for K2Y4Sn2S11 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K2Y4Sn2S11
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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13
Collection
MDR phonon calculation database
13
Keyword
P4/ncc (130)
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Phonon
13
Ba3GeO5
1
Cs3MgH5
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NIMS
13
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13
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
13
Data origin
simulation
13
Author
Atsushi Togo
13
Funder
MEXT
13
Software
VASP
13
phonopy
13
spglib
13