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Filtering by: Software VASP Remove constraint Software: VASP Keyword Pbcn (60) Remove constraint Keyword: Pbcn (60) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624

Description/Abstract:

Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba2SrI6, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) / materials id 8985

Description/Abstract:

Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ba2YC2(O2F)3, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Th2S5 / Pbcn (60) / materials id 1666

Description/Abstract:

Ab-initio phonon calculation for Th2S5 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Pbcn (60), Phonon, and Th2S5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na2TeO4 / Pbcn (60) / materials id 27537

Description/Abstract:

Ab-initio phonon calculation for Na2TeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Na2TeO4, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Bi2Te2O7 / Pbcn (60) / materials id 667426

Description/Abstract:

Ab-initio phonon calculation for Bi2Te2O7 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Bi2Te2O7, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ca4Al6O13 / Pbcn (60) / materials id 680193

Description/Abstract:

Ab-initio phonon calculation for Ca4Al6O13 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ca4Al6O13, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for MgH2 / Pbcn (60) / materials id 23711

Description/Abstract:

Ab-initio phonon calculation for MgH2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

MgH2, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na2Ti2O5 / Pbcn (60) / materials id 781948

Description/Abstract:

Ab-initio phonon calculation for Na2Ti2O5 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Na2Ti2O5, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K3P11 / Pbcn (60) / materials id 1568

Description/Abstract:

Ab-initio phonon calculation for K3P11 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

K3P11, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Rh2O3 / Pbcn (60) / materials id 1716

Description/Abstract:

Ab-initio phonon calculation for Rh2O3 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Pbcn (60), Phonon, and Rh2O3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Dataset123

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MDR phonon calculation database[remove]123

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Pbcn (60)[remove]123
Phonon123
MgH22
Sr2CaI62
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Creative Commons BY Attribution 4.0 International123

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