Index Catalog // MDR

Ab-initio phonon calculation for Rb3ClO / Pnma (62) / materials id 756979

Description/Abstract:: Ab-initio phonon calculation for Rb3ClO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Phonon, Pnma (62), and Rb3ClO
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Ba2Mg(BO3)2 / R-3m (166) / materials id 9259

Description/Abstract:: Ab-initio phonon calculation for Ba2Mg(BO3)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: Ba2Mg(BO3)2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for AlF3 / P4/mbm (127) / materials id 555026

Description/Abstract:: Ab-initio phonon calculation for AlF3 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: AlF3, P4/mbm (127), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for KReO4 / I4_1/a (88) / materials id 4757

Description/Abstract:: Ab-initio phonon calculation for KReO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: I4_1/a (88), KReO4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Zn2Si3Pb4SO15 / P2_1 (4) / materials id 559184

Description/Abstract:: Ab-initio phonon calculation for Zn2Si3Pb4SO15 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: P2_1 (4), Phonon, and Zn2Si3Pb4SO15
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for ErBi2IO4 / P4/mmm (123) / materials id 551250

Description/Abstract:: Ab-initio phonon calculation for ErBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: ErBi2IO4, P4/mmm (123), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for CrAuS2 / R-3m (166) / materials id 7113

Description/Abstract:: Ab-initio phonon calculation for CrAuS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: CrAuS2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for GeS / Pnma (62) / materials id 2242

Description/Abstract:: Ab-initio phonon calculation for GeS / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:: GeS, Phonon, and Pnma (62)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Na2ZnS2 / Ibam (72) / materials id 8257

Description/Abstract:: Ab-initio phonon calculation for Na2ZnS2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Ibam (72), Na2ZnS2, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for K2NaAlAs2 / Ibam (72) / materials id 9069

Description/Abstract:: Ab-initio phonon calculation for K2NaAlAs2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Ibam (72), K2NaAlAs2, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Mg2SnO4 / Imma (74) / materials id 34022

Description/Abstract:: Ab-initio phonon calculation for Mg2SnO4 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Imma (74), Mg2SnO4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) / materials id 23632

Description/Abstract:: Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Ca2BN2Cl, Phonon, and Pnma (62)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Yb(ZnAs)2 / P-3m1 (164) / materials id 10314

Description/Abstract:: Ab-initio phonon calculation for Yb(ZnAs)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: P-3m1 (164), Phonon, and Yb(ZnAs)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for PrNbO4 / C2/c (15) / materials id 4709

Description/Abstract:: Ab-initio phonon calculation for PrNbO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: C2/c (15), Phonon, and PrNbO4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for In5Cl9 / R-3c (167) / materials id 28112

Description/Abstract:: Ab-initio phonon calculation for In5Cl9 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: In5Cl9, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for La2UO6 / Immm (71) / materials id 760513

Description/Abstract:: Ab-initio phonon calculation for La2UO6 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Immm (71), La2UO6, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for RbSO3 / P321 (150) / materials id 3404

Description/Abstract:: Ab-initio phonon calculation for RbSO3 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: P321 (150), Phonon, and RbSO3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Mg2B24C / P-4n2 (118) / materials id 568556

Description/Abstract:: Ab-initio phonon calculation for Mg2B24C / P-4n2 (118) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Mg2B24C, P-4n2 (118), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Pd(PbBr3)2 / P2_1/c (14) / materials id 28983

Description/Abstract:: Ab-initio phonon calculation for Pd(PbBr3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: P2_1/c (14), Pd(PbBr3)2, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for La2Hf2O7 / P2_1 (4) / materials id 772850

Description/Abstract:: Ab-initio phonon calculation for La2Hf2O7 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: La2Hf2O7, P2_1 (4), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023

Ab-initio phonon calculation for Rb3ClO / Pnma (62) / materials id 756979

Ab-initio phonon calculation for Ba2Mg(BO3)2 / R-3m (166) / materials id 9259

Ab-initio phonon calculation for AlF3 / P4/mbm (127) / materials id 555026

Ab-initio phonon calculation for KReO4 / I4_1/a (88) / materials id 4757

Ab-initio phonon calculation for Zn2Si3Pb4SO15 / P2_1 (4) / materials id 559184

Ab-initio phonon calculation for ErBi2IO4 / P4/mmm (123) / materials id 551250

Ab-initio phonon calculation for CrAuS2 / R-3m (166) / materials id 7113

Ab-initio phonon calculation for GeS / Pnma (62) / materials id 2242

Ab-initio phonon calculation for Na2ZnS2 / Ibam (72) / materials id 8257

Ab-initio phonon calculation for K2NaAlAs2 / Ibam (72) / materials id 9069

Ab-initio phonon calculation for Mg2SnO4 / Imma (74) / materials id 34022

Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) / materials id 23632

Ab-initio phonon calculation for Yb(ZnAs)2 / P-3m1 (164) / materials id 10314

Ab-initio phonon calculation for PrNbO4 / C2/c (15) / materials id 4709

Ab-initio phonon calculation for In5Cl9 / R-3c (167) / materials id 28112

Ab-initio phonon calculation for La2UO6 / Immm (71) / materials id 760513

Ab-initio phonon calculation for RbSO3 / P321 (150) / materials id 3404

Ab-initio phonon calculation for Mg2B24C / P-4n2 (118) / materials id 568556

Ab-initio phonon calculation for Pd(PbBr3)2 / P2_1/c (14) / materials id 28983

Ab-initio phonon calculation for La2Hf2O7 / P2_1 (4) / materials id 772850

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