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Filtering by: Keyword H2O

Ab-initio phonon calculation for H2O / P2_12_12_1 (19) / materials id 558226

Description/Abstract:

Ab-initio phonon calculation for H2O / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

H2O, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for H2O / P2_1 (4) / materials id 557082

Description/Abstract:

Ab-initio phonon calculation for H2O / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...

Keyword:

H2O, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for H2O / R-3 (148) / materials id 24043

Description/Abstract:

Ab-initio phonon calculation for H2O / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

H2O, Phonon, and R-3 (148)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for H2O / P6_3cm (185) / materials id 703459

Description/Abstract:

Ab-initio phonon calculation for H2O / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

H2O, P6_3cm (185), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for H2O / P2_12_12_1 (19) / materials id 558958

Description/Abstract:

Ab-initio phonon calculation for H2O / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

H2O, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023