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Ab-initio phonon calculation for NdF3 / P-3c1 (165) / materials id 254

Description/Abstract:

Ab-initio phonon calculation for NdF3 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

NdF3, P-3c1 (165), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for NdF3 / P6_3cm (185) / materials id 18511

Description/Abstract:

Ab-initio phonon calculation for NdF3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

NdF3, P6_3cm (185), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023