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Ab-initio phonon calculation for BiAsO4 / P2_1/c (14) / materials id 27911

Description/Abstract:

Ab-initio phonon calculation for BiAsO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

BiAsO4, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) / materials id 561068

Description/Abstract:

Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

BiAsO4, I4_1/a (88), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023