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Ab-initio phonon calculation for Mg(HO)2 / C2 (5) / materials id 626143
Description/Abstract:
Ab-initio phonon calculation for Mg(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Mg(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrTeO3 / C2 (5) / materials id 561394
Description/Abstract:
Ab-initio phonon calculation for SrTeO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
Phonon
, and
SrTeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiGaAs2O7 / C2 (5) / materials id 545346
Description/Abstract:
Ab-initio phonon calculation for LiGaAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiGaAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiAgF2 / C2 (5) / materials id 752767
Description/Abstract:
Ab-initio phonon calculation for LiAgF2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
LiAgF2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaCO3 / C2 (5) / materials id 561412
Description/Abstract:
Ab-initio phonon calculation for CaCO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
CaCO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Dy4Cu4S9 / C2 (5) / materials id 680676
Description/Abstract:
Ab-initio phonon calculation for K2Dy4Cu4S9 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2 (5)
,
K2Dy4Cu4S9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2ZnH4(I2O7)2 / C2 (5) / materials id 867329
Description/Abstract:
Ab-initio phonon calculation for K2ZnH4(I2O7)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2 (5)
,
K2ZnH4(I2O7)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y2Th8O19 / C2 (5) / materials id 675118
Description/Abstract:
Ab-initio phonon calculation for Y2Th8O19 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
Y2Th8O19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y15TmO24 / C2 (5) / materials id 757001
Description/Abstract:
Ab-initio phonon calculation for Y15TmO24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
Y15TmO24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) / materials id 36165
Description/Abstract:
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Na10Zn4O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) / materials id 7079
Description/Abstract:
Ab-initio phonon calculation for CaZrSi2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
CaZrSi2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2LiBO3 / C2 (5) / materials id 557632
Description/Abstract:
Ab-initio phonon calculation for K2LiBO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
K2LiBO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Hg2P2S7 / C2 (5) / materials id 27171
Description/Abstract:
Ab-initio phonon calculation for Hg2P2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Hg2P2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YTmO3 / C2 (5) / materials id 766256
Description/Abstract:
Ab-initio phonon calculation for YTmO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
Phonon
, and
YTmO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na5SbO5 / C2 (5) / materials id 759876
Description/Abstract:
Ab-initio phonon calculation for Na5SbO5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Na5SbO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr2LiNb3O10 / C2 (5) / materials id 756854
Description/Abstract:
Ab-initio phonon calculation for Sr2LiNb3O10 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Sr2LiNb3O10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Bi2TeO2 / C2 (5) / materials id 755419
Description/Abstract:
Ab-initio phonon calculation for Bi2TeO2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Bi2TeO2
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Bi(BO2)3 / C2 (5) / materials id 23349
Description/Abstract:
Ab-initio phonon calculation for Bi(BO2)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Bi(BO2)3
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Rb2NaNb6(PO8)3 / C2 (5) / materials id 677731
Description/Abstract:
Ab-initio phonon calculation for Rb2NaNb6(PO8)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2 (5)
,
Phonon
, and
Rb2NaNb6(PO8)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for SrTaNO2 / C2 (5) / materials id 849636
Description/Abstract:
Ab-initio phonon calculation for SrTaNO2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Phonon
, and
SrTaNO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for LiTlPHO3 / C2 (5) / materials id 772968
Description/Abstract:
Ab-initio phonon calculation for LiTlPHO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
LiTlPHO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Li3ScCl6 / C2 (5) / materials id 686004
Description/Abstract:
Ab-initio phonon calculation for Li3ScCl6 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Li3ScCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Y5Tm11O24 / C2 (5) / materials id 759638
Description/Abstract:
Ab-initio phonon calculation for Y5Tm11O24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Phonon
, and
Y5Tm11O24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ca(Ga3Te5)2 / C2 (5) / materials id 675750
Description/Abstract:
Ab-initio phonon calculation for Ca(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Ca(Ga3Te5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) / materials id 626878
Description/Abstract:
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Ca(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na2CdSnS4 / C2 (5) / materials id 561075
Description/Abstract:
Ab-initio phonon calculation for Na2CdSnS4 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Na2CdSnS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for NbBr2O / C2 (5) / materials id 550070
Description/Abstract:
Ab-initio phonon calculation for NbBr2O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
NbBr2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for NbI2O / C2 (5) / materials id 549720
Description/Abstract:
Ab-initio phonon calculation for NbI2O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
NbI2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ba2Na2B10H2O19 / C2 (5) / materials id 697960
Description/Abstract:
Ab-initio phonon calculation for Ba2Na2B10H2O19 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2Na2B10H2O19
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaBe2BO3F2 / C2 (5) / materials id 556865
Description/Abstract:
Ab-initio phonon calculation for NaBe2BO3F2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2 (5)
,
NaBe2BO3F2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Hf2Bi2O7 / C2 (5) / materials id 35799
Description/Abstract:
Ab-initio phonon calculation for Hf2Bi2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Hf2Bi2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2NaAl6F21 / C2 (5) / materials id 560570
Description/Abstract:
Ab-initio phonon calculation for Rb2NaAl6F21 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Rb2NaAl6F21
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La3Zn3Ge2SbO14 / C2 (5) / materials id 672262
Description/Abstract:
Ab-initio phonon calculation for La3Zn3Ge2SbO14 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2 (5)
,
La3Zn3Ge2SbO14
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NbTlBr4O / C2 (5) / materials id 551826
Description/Abstract:
Ab-initio phonon calculation for NbTlBr4O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
NbTlBr4O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Y3DyO6 / C2 (5) / materials id 757197
Description/Abstract:
Ab-initio phonon calculation for Y3DyO6 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
Phonon
, and
Y3DyO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Tb14(PbSe8)3 / C2 (5) / materials id 676110
Description/Abstract:
Ab-initio phonon calculation for Tb14(PbSe8)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2 (5)
,
Phonon
, and
Tb14(PbSe8)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Yb(Ga3Te5)2 / C2 (5) / materials id 676644
Description/Abstract:
Ab-initio phonon calculation for Yb(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Yb(Ga3Te5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cd(HO)2 / C2 (5) / materials id 625565
Description/Abstract:
Ab-initio phonon calculation for Cd(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Cd(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for LiAlAs2O7 / C2 (5) / materials id 547017
Description/Abstract:
Ab-initio phonon calculation for LiAlAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiAlAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca11Al14O32 / C2 (5) / materials id 33318
Description/Abstract:
Ab-initio phonon calculation for Ca11Al14O32 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Ca11Al14O32
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for LiScAs2O7 / C2 (5) / materials id 552663
Description/Abstract:
Ab-initio phonon calculation for LiScAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiScAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Nd4CuTe5(ClO5)3 / C2 (5) / materials id 683957
Description/Abstract:
Ab-initio phonon calculation for Nd4CuTe5(ClO5)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2 (5)
,
Nd4CuTe5(ClO5)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li2PtO3 / C2 (5) / materials id 531826
Description/Abstract:
Ab-initio phonon calculation for Li2PtO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Li2PtO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K2Ge3(BO5)2 / C2 (5) / materials id 560019
Description/Abstract:
Ab-initio phonon calculation for K2Ge3(BO5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
K2Ge3(BO5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr8Si2PtO14 / C2 (5) / materials id 561245
Description/Abstract:
Ab-initio phonon calculation for Sr8Si2PtO14 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Phonon
, and
Sr8Si2PtO14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) / materials id 626644
Description/Abstract:
Ab-initio phonon calculation for Ca(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Ca(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Zr6Nb2O17 / C2 (5) / materials id 766207
Description/Abstract:
Ab-initio phonon calculation for Zr6Nb2O17 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Phonon
, and
Zr6Nb2O17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Li6Ti2O7 / C2 (5) / materials id 770456
Description/Abstract:
Ab-initio phonon calculation for Li6Ti2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Li6Ti2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Cs2Li3I5 / C2 (5) / materials id 608311
Description/Abstract:
Ab-initio phonon calculation for Cs2Li3I5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Cs2Li3I5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Na3Al2(AsO4)3 / C2 (5) / materials id 556676
Description/Abstract:
Ab-initio phonon calculation for Na3Al2(AsO4)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2 (5)
,
Na3Al2(AsO4)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for NbI3O / C2 (5) / materials id 546285
Description/Abstract:
Ab-initio phonon calculation for NbI3O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
NbI3O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for SmY15O24 / C2 (5) / materials id 757791
Description/Abstract:
Ab-initio phonon calculation for SmY15O24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
SmY15O24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for K4Ba(GeO3)3 / C2 (5) / materials id 557584
Description/Abstract:
Ab-initio phonon calculation for K4Ba(GeO3)3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
K4Ba(GeO3)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for BaTi2O5 / C2 (5) / materials id 555966
Description/Abstract:
Ab-initio phonon calculation for BaTi2O5 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BaTi2O5
,
C2 (5)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Cd(Ga3Te5)2 / C2 (5) / materials id 36641
Description/Abstract:
Ab-initio phonon calculation for Cd(Ga3Te5)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2 (5)
,
Cd(Ga3Te5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaScAs2O7 / C2 (5) / materials id 550925
Description/Abstract:
Ab-initio phonon calculation for NaScAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
NaScAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsGaP3HO10 / C2 (5) / materials id 24181
Description/Abstract:
Ab-initio phonon calculation for CsGaP3HO10 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2 (5)
,
CsGaP3HO10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) / materials id 11131
Description/Abstract:
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2 (5)
,
K2Hg3(GeS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KCrP2S7 / C2 (5) / materials id 7147
Description/Abstract:
Ab-initio phonon calculation for KCrP2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
KCrP2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
59
Collection
MDR phonon calculation database
59
Keyword
C2 (5)
[remove]
59
Phonon
59
Ca(HO)2
2
Ba2Na2B10H2O19
1
BaTi2O5
1
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Keywords
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Publisher
NIMS
59
Resource type
Dataset
59
Visibility
open
59
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
59
Data origin
simulation
59
Author
Atsushi Togo
59
Funder
MEXT
59
Software
VASP
59
phonopy
59
spglib
59