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Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) / materials id 644285
Description/Abstract:
Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmcm (63)
,
KAlH2CO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731
Description/Abstract:
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba2CaI6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsBe2BO3F2 / R32 (155) / materials id 553342
Description/Abstract:
Ab-initio phonon calculation for CsBe2BO3F2 / R32 (155) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CsBe2BO3F2
,
Phonon
, and
R32 (155)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) / materials id 776466
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Ti6N2O11
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 3193
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
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 DyHO2 / Pnma (62) / materials id 755659
Description/Abstract:
Ab-initio phonon calculation for DyHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
DyHO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) / materials id 2739
Description/Abstract:
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_32_12 (96)
,
Phonon
, and
TeO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451
Description/Abstract:
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs3Cr2Br9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) / materials id 540634
Description/Abstract:
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P-6c2 (188)
,
Phonon
, and
TaTl(GeO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) / materials id 754710
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-31m (162)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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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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Atsushi Togo
10,034
Hiori Kino
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10,034
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10,034
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Science and Technology of Advanced Materials: Methods
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