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Ab-initio phonon calculation for HfZrO4 / I4_1/a (88) / materials id 754964

Description/Abstract:

Ab-initio phonon calculation for HfZrO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

HfZrO4, I4_1/a (88), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) / materials id 754478

Description/Abstract:

Ab-initio phonon calculation for HfZrO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmmm (65), HfZrO4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) / materials id 754134

Description/Abstract:

Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

HfZrO4, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023