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Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) / materials id 17894

Description/Abstract:

Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P2_1 (4), Phonon, and Rb3Sm(PS4)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KLaSiSe4 / P2_1 (4) / materials id 861606

Description/Abstract:

Ab-initio phonon calculation for KLaSiSe4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

KLaSiSe4, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) / materials id 557301

Description/Abstract:

Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

K2Ti(Si2O5)3, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) / materials id 556806

Description/Abstract:

Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

BaNa2(SiO3)2, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KSb(PS3)2 / P2_1 (4) / materials id 556609

Description/Abstract:

Ab-initio phonon calculation for KSb(PS3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

KSb(PS3)2, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LaTiNO2 / P2_1 (4) / materials id 775918

Description/Abstract:

Ab-initio phonon calculation for LaTiNO2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

LaTiNO2, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ho2Ti2O7 / P2_1 (4) / materials id 768695

Description/Abstract:

Ab-initio phonon calculation for Ho2Ti2O7 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ho2Ti2O7, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ca2Nb2O7 / P2_1 (4) / materials id 13979

Description/Abstract:

Ab-initio phonon calculation for Ca2Nb2O7 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ca2Nb2O7, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BeAlH5 / P2_1 (4) / materials id 23719

Description/Abstract:

Ab-initio phonon calculation for BeAlH5 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

BeAlH5, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) / materials id 18578

Description/Abstract:

Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

P2_1 (4), Phonon, and TlZnAsO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset[remove]100

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MDR phonon calculation database100

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P2_1 (4)[remove]100
Phonon100
Li2Mg3Ti6O162
Li2Ti6Zn3O162
Mg(IO3)22
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Rights Statement Sim

Creative Commons BY Attribution 4.0 International100

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simulation100

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