Index Catalog // MDR

Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915

Description/Abstract:: Ab-initio phonon calculation for BaHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: BaHgO2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for K2BiF5 / Pnma (62) / materials id 561290

Description/Abstract:: Ab-initio phonon calculation for K2BiF5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: K2BiF5, Phonon, and Pnma (62)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933

Description/Abstract:: Ab-initio phonon calculation for AlH3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: AlH3, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) / materials id 13190

Description/Abstract:: Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Fm-3m (225), KRb2GaF6, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) / materials id 6231

Description/Abstract:: Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: Ba2ErSbO6, Fm-3m (225), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for CaTeO4 / Pbcn (60) / materials id 12221

Description/Abstract:: Ab-initio phonon calculation for CaTeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: CaTeO4, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) / materials id 616218

Description/Abstract:: Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:: Cd(In2I3)2, P4/mnc (128), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for AgCl / P2_1/m (11) / materials id 570687

Description/Abstract:: Ab-initio phonon calculation for AgCl / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: AgCl, P2_1/m (11), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) / materials id 643009

Description/Abstract:: Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Cmc2_1 (36), Phonon, and SrMgH4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) / materials id 769390

Description/Abstract:: Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: C2/c (15), Ca3Ta2O8, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 17/05/2023

Ab-initio phonon calculation for CsAuF4 / Immm (71) / materials id 572767

Description/Abstract:: Ab-initio phonon calculation for CsAuF4 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: CsAuF4, Immm (71), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for HoIO / P4/nmm (129) / materials id 753173

Description/Abstract:: Ab-initio phonon calculation for HoIO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: HoIO, P4/nmm (129), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for Be4TeO7 / F-43m (216) / materials id 27608

Description/Abstract:: Ab-initio phonon calculation for Be4TeO7 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Be4TeO7, F-43m (216), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for GaCuI4 / I-4 (82) / materials id 29403

Description/Abstract:: Ab-initio phonon calculation for GaCuI4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: GaCuI4, I-4 (82), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) / materials id 567594

Description/Abstract:: Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Cs2HgI4, P2_1 (4), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for SbO2 / Pnna (52) / materials id 560098

Description/Abstract:: Ab-initio phonon calculation for SbO2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:: Phonon, Pnna (52), and SbO2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570410

Description/Abstract:: Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: CdI2, P3m1 (156), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) / materials id 568001

Description/Abstract:: Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: AlHg2SbCl4, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) / materials id 18163

Description/Abstract:: Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: Cc (9), Cd4GeSe6, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153

Description/Abstract:: Ab-initio phonon calculation for XeF3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: P2_1/c (14), Phonon, and XeF3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023

Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915

Ab-initio phonon calculation for K2BiF5 / Pnma (62) / materials id 561290

Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933

Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) / materials id 13190

Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) / materials id 6231

Ab-initio phonon calculation for CaTeO4 / Pbcn (60) / materials id 12221

Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) / materials id 616218

Ab-initio phonon calculation for AgCl / P2_1/m (11) / materials id 570687

Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) / materials id 643009

Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) / materials id 769390

Ab-initio phonon calculation for CsAuF4 / Immm (71) / materials id 572767

Ab-initio phonon calculation for HoIO / P4/nmm (129) / materials id 753173

Ab-initio phonon calculation for Be4TeO7 / F-43m (216) / materials id 27608

Ab-initio phonon calculation for GaCuI4 / I-4 (82) / materials id 29403

Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) / materials id 567594

Ab-initio phonon calculation for SbO2 / Pnna (52) / materials id 560098

Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570410

Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) / materials id 568001

Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) / materials id 18163

Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153

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