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Ab-initio phonon calculation for BeCN2 / I-42d (122) / materials id 15703
Description/Abstract:
Ab-initio phonon calculation for BeCN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BeCN2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KScAs2(HO4)2 / C2/c (15) / materials id 695800
Description/Abstract:
Ab-initio phonon calculation for KScAs2(HO4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/c (15)
,
KScAs2(HO4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sm2Ge2O7 / C2/m (12) / materials id 754621
Description/Abstract:
Ab-initio phonon calculation for Sm2Ge2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Phonon
, and
Sm2Ge2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KGeAuS3 / P2_1/c (14) / materials id 554859
Description/Abstract:
Ab-initio phonon calculation for KGeAuS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KGeAuS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AgBr / Fm-3m (225) / materials id 23231
Description/Abstract:
Ab-initio phonon calculation for AgBr / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AgBr
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) / materials id 20006
Description/Abstract:
Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
ZnPb2F6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaY(SiO3)2 / P2_1/c (14) / materials id 560039
Description/Abstract:
Ab-initio phonon calculation for NaY(SiO3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaY(SiO3)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2SbAu / Cmcm (63) / materials id 867335
Description/Abstract:
Ab-initio phonon calculation for K2SbAu / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2SbAu
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) / materials id 11019
Description/Abstract:
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
GaCuO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Te3As2 / C2/m (12) / materials id 484
Description/Abstract:
Ab-initio phonon calculation for Te3As2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
Te3As2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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10,034
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MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
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10,034
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10,034
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10,034
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10,043
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Creative Commons BY Attribution 4.0 International
10,040
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International
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10,034
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Atsushi Togo
10,034
Hiori Kino
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Takashi Miyake
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Hieu Chi Dam
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Anh Tuan Nguyen
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10,043
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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Physical Review Applied
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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