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P4_2/n (86)
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Ab-initio phonon calculation for La10Se19 / P4_2/n (86) / materials id 8866
Description/Abstract:
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La10Se19
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd4Re2O11 / P4_2/n (86) / materials id 13758
Description/Abstract:
Ab-initio phonon calculation for Nd4Re2O11 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Nd4Re2O11
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2HgPSe5 / P4_2/n (86) / materials id 569349
Description/Abstract:
Ab-initio phonon calculation for Rb2HgPSe5 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/n (86)
,
Phonon
, and
Rb2HgPSe5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm10S19 / P4_2/n (86) / materials id 10534
Description/Abstract:
Ab-initio phonon calculation for Sm10S19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/n (86)
,
Phonon
, and
Sm10S19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PNCl2 / P4_2/n (86) / materials id 571213
Description/Abstract:
Ab-initio phonon calculation for PNCl2 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P4_2/n (86)
,
PNCl2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for La10S19 / P4_2/n (86) / materials id 558229
Description/Abstract:
Ab-initio phonon calculation for La10S19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La10S19
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Nd10S19 / P4_2/n (86) / materials id 560786
Description/Abstract:
Ab-initio phonon calculation for Nd10S19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Nd10S19
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiIO3 / P4_2/n (86) / materials id 23384
Description/Abstract:
Ab-initio phonon calculation for LiIO3 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LiIO3
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Si(AgO)4 / P4_2/n (86) / materials id 556164
Description/Abstract:
Ab-initio phonon calculation for Si(AgO)4 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4_2/n (86)
,
Phonon
, and
Si(AgO)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Pr10S19 / P4_2/n (86) / materials id 561375
Description/Abstract:
Ab-initio phonon calculation for Pr10S19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/n (86)
,
Phonon
, and
Pr10S19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for KTeOF3 / P4_2/n (86) / materials id 559932
Description/Abstract:
Ab-initio phonon calculation for KTeOF3 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KTeOF3
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YH7C4O11 / P4_2/n (86) / materials id 554793
Description/Abstract:
Ab-initio phonon calculation for YH7C4O11 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4_2/n (86)
,
Phonon
, and
YH7C4O11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca3Be2Si3(HO6)2 / P4_2/n (86) / materials id 699464
Description/Abstract:
Ab-initio phonon calculation for Ca3Be2Si3(HO6)2 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ca3Be2Si3(HO6)2
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Na3Sr4Al5F26 / P4_2/n (86) / materials id 667386
Description/Abstract:
Ab-initio phonon calculation for Na3Sr4Al5F26 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Na3Sr4Al5F26
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for MgB2H6O7 / P4_2/n (86) / materials id 706910
Description/Abstract:
Ab-initio phonon calculation for MgB2H6O7 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
MgB2H6O7
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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15
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MDR phonon calculation database
15
Keyword
P4_2/n (86)
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Phonon
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Ca3Be2Si3(HO6)2
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KTeOF3
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NIMS
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
15
Data origin
simulation
15
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Atsushi Togo
15
Funder
MEXT
15
Software
VASP
15
phonopy
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spglib
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