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Ab-initio phonon calculation for Ba3SrNb2O9 / P6_3/mmc (194) / materials id 540794
Description/Abstract:
Ab-initio phonon calculation for Ba3SrNb2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba3SrNb2O9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Zn(AsO2)2 / P2_1/c (14) / materials id 29509
Description/Abstract:
Ab-initio phonon calculation for Zn(AsO2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Zn(AsO2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TiPbO3 / Pm-3m (221) / materials id 19845
Description/Abstract:
Ab-initio phonon calculation for TiPbO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pm-3m (221)
, and
TiPbO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K3Bi2(AsO4)3 / C2/c (15) / materials id 561369
Description/Abstract:
Ab-initio phonon calculation for K3Bi2(AsO4)3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/c (15)
,
K3Bi2(AsO4)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Lu6TeO12 / R-3 (148) / materials id 755804
Description/Abstract:
Ab-initio phonon calculation for Lu6TeO12 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Lu6TeO12
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba(YTe2)2 / Pnma (62) / materials id 17872
Description/Abstract:
Ab-initio phonon calculation for Ba(YTe2)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(YTe2)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ho2Ti2O7 / Fd-3m (227) / materials id 33948
Description/Abstract:
Ab-initio phonon calculation for Ho2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Ho2Ti2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K6Ge2O7 / Pc (7) / materials id 5116
Description/Abstract:
Ab-initio phonon calculation for K6Ge2O7 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
K6Ge2O7
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for AsS2NF6 / C2/m (12) / materials id 8500
Description/Abstract:
Ab-initio phonon calculation for AsS2NF6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AsS2NF6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for RbNa2Sb / Fm-3m (225) / materials id 975275
Description/Abstract:
Ab-initio phonon calculation for RbNa2Sb / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
RbNa2Sb
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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10,034
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MDR phonon calculation database
10,034
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10,034
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10,034
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Atsushi Togo
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phonopy
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spglib
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