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Filtering by: Keyword AlPO4 Remove constraint Keyword: AlPO4 Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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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

Limit your search

Type of work

Dataset6

Collection

MDR phonon calculation database[remove]6

Keyword

AlPO4[remove]6
Phonon6
C222_1 (20)1
F-43m (216)1
P3_121 (152)1
more Keywords »

Publisher

NIMS6

Resource type

Dataset6

Visibility

open6

Rights Statement Sim

Creative Commons BY Attribution 4.0 International6

Data origin

simulation6

Author

Atsushi Togo6

Funder

MEXT6

Software

VASP6
phonopy6
spglib6

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