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6421.
Ab-initio phonon calculation for NaCaPO4 / Pna2_1 (33) / materials id 14401
Description/Abstract:
Ab-initio phonon calculation for NaCaPO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaCaPO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6422.
Ab-initio phonon calculation for PrNb5O14 / Pmmn (59) / materials id 28707
Description/Abstract:
Ab-initio phonon calculation for PrNb5O14 / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pmmn (59)
, and
PrNb5O14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6423.
Ab-initio phonon calculation for Ca(CuO)2 / I4_1/amd (141) / materials id 754501
Description/Abstract:
Ab-initio phonon calculation for Ca(CuO)2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca(CuO)2
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6424.
Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) / materials id 29420
Description/Abstract:
Ab-initio phonon calculation for Hf(Se2Cl3)2 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Hf(Se2Cl3)2
,
P4_2/ncm (138)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6425.
Ab-initio phonon calculation for K2SbPO6 / Pnma (62) / materials id 560240
Description/Abstract:
Ab-initio phonon calculation for K2SbPO6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K2SbPO6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6426.
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) / materials id 7087
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6427.
Ab-initio phonon calculation for NaHgPO4 / Cmcm (63) / materials id 8153
Description/Abstract:
Ab-initio phonon calculation for NaHgPO4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
NaHgPO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6428.
Ab-initio phonon calculation for Lu3AlO6 / R-3 (148) / materials id 756742
Description/Abstract:
Ab-initio phonon calculation for Lu3AlO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Lu3AlO6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6429.
Ab-initio phonon calculation for Y2GeO5 / C2/c (15) / materials id 561441
Description/Abstract:
Ab-initio phonon calculation for Y2GeO5 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
Phonon
, and
Y2GeO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
6430.
Ab-initio phonon calculation for RbLaO2 / R-3m (166) / materials id 7972
Description/Abstract:
Ab-initio phonon calculation for RbLaO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbLaO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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