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AlPO4
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Ab-initio phonon calculation for AlPO4 / F-43m (216) / materials id 37990
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlPO4
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlPO4 / P3_221 (154) / materials id 3955
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / P3_221 (154) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlPO4
,
P3_221 (154)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AlPO4 / P6_422 (181) / materials id 560151
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / P6_422 (181) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlPO4
,
P6_422 (181)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for AlPO4 / P3_121 (152) / materials id 5331
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlPO4
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for AlPO4 / C222_1 (20) / materials id 4051
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlPO4
,
C222_1 (20)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for AlPO4 / P6_3mc (186) / materials id 545974
Description/Abstract:
Ab-initio phonon calculation for AlPO4 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlPO4
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
XAFS spectrum of Aluminum phosphate
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Al K-edge of Aluminum phosphate measured at Ritsumeikan-SR BL-...
Keyword:
Al K-edge
,
AlPO4
,
Aluminum phosphate
,
BL-10
,
Phosphate
,
Ritsumeikan-SR
,
XAFS
, and
collection - MDR XAFS DB
Resource Type:
Dataset
Data origin:
experiments
Date Uploaded:
08/06/2022
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Type of work
Dataset
7
Collection
MDR phonon calculation database
6
MDR XAFS DB
1
Keyword
AlPO4
[remove]
7
Phonon
6
Al K-edge
1
Aluminum phosphate
1
BL-10
1
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Publisher
NIMS
6
Resource type
Dataset
7
Visibility
open
7
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
6
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
1
Data origin
simulation
6
experiments
1
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
1
Author
Atsushi Togo
6
Instrument manufacturer
Ritsumeikan SR Center
1
Instrument managing organization
Ritsumeikan University
1
Instrument managing sub organization
Ritsumeikan SR Center
1
Structural feature category
https://matvoc.nims.go.jp/entity/Q686
1
Funder
MEXT
6
Software
VASP
6
phonopy
6
spglib
6