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Filtering by: Keyword HgSeO3 Collection MDR phonon calculation database Resource type Dataset

Ab-initio phonon calculation for HgSeO3 / P2_1/c (14) / materials id 10798

Description/Abstract:

Ab-initio phonon calculation for HgSeO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

HgSeO3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for HgSeO3 / Pnma (62) / materials id 9228

Description/Abstract:

Ab-initio phonon calculation for HgSeO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

HgSeO3, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for HgSeO3 / P2_1/c (14) / materials id 557224

Description/Abstract:

Ab-initio phonon calculation for HgSeO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

HgSeO3, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023