Index Catalog // MDR

Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214

Description/Abstract:: Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: CsSnBr3, Phonon, and Pm-3m (221)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004

Description/Abstract:: Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: I4/mmm (139), Phonon, and Rb4Br2O
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886

Description/Abstract:: Ab-initio phonon calculation for Ga2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: C2/m (12), Ga2O3, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

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 Na2ZnSiO4 / Pc (7) / materials id 6391

Description/Abstract:: Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Na2ZnSiO4, Pc (7), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338

Description/Abstract:: Ab-initio phonon calculation for ZnSeO3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Pbca (61), Phonon, and ZnSeO3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742

Description/Abstract:: Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: BaAgTeF, P4/nmm (129), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766

Description/Abstract:: Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: CaIn2O4, Fd-3m (227), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412

Description/Abstract:: Ab-initio phonon calculation for In(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: In(HO)3, Phonon, and R-3 (148)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465

Description/Abstract:: Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Cs2TeCl6, Fm-3m (225), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) / materials id 780246

Description/Abstract:: Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: C2/c (15), Na2Bi4O7, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659

Description/Abstract:: Ab-initio phonon calculation for HgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: HgPbF6, Phonon, and R-3 (148)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) / materials id 754646

Description/Abstract:: Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Dy2Ge2O7, Fd-3m (227), and Phonon
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 Sr(HO)2 / Pnma (62) / materials id 27425

Description/Abstract:: Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Phonon, Pnma (62), and Sr(HO)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710

Description/Abstract:: Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: KPr3Te8, P2_1/c (14), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107

Description/Abstract:: Ab-initio phonon calculation for Ga3PO7 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Ga3PO7, Phonon, and R3m (160)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661

Description/Abstract:: Ab-initio phonon calculation for AlN / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: AlN, P6_3mc (186), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) / materials id 6065

Description/Abstract:: Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: Fm-3m (225), Phonon, and Sr2GaSbO6
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285

Description/Abstract:: Ab-initio phonon calculation for SrSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: Phonon, Pnma (62), and SrSO4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214

Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004

Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886

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

Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) / materials id 6391

Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338

Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742

Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766

Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412

Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465

Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) / materials id 780246

Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659

Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) / materials id 754646

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

Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) / materials id 27425

Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710

Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107

Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661

Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) / materials id 6065

Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285

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