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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
Ab-initio phonon calculation for HgPSe3 / C2/c (15) / materials id 7293
Description/Abstract:
Ab-initio phonon calculation for HgPSe3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
HgPSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) / materials id 582080
Description/Abstract:
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Cs3LaCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) / materials id 4511
Description/Abstract:
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
La2SO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) / materials id 555077
Description/Abstract:
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
Phonon
, and
Sn2IF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) / materials id 541097
Description/Abstract:
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
Phonon
, and
Zr3Pb(O2F3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2PdSe16 / P-4b2 (117) / materials id 31292
Description/Abstract:
Ab-initio phonon calculation for Rb2PdSe16 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-4b2 (117)
,
Phonon
, and
Rb2PdSe16
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224
Description/Abstract:
Ab-initio phonon calculation for HgO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
HgO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) / materials id 756122
Description/Abstract:
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3TlO3
,
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 Li6MgBr8 / Fm-3m (225) / materials id 29008
Description/Abstract:
Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Li6MgBr8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) / materials id 540881
Description/Abstract:
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2AgI3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) / materials id 17885
Description/Abstract:
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2Ge2Te5
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121
Description/Abstract:
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na2Hg3S4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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 Ba3Ta6(Si2O13)2 / P-62m (189) / materials id 6169
Description/Abstract:
Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba3Ta6(Si2O13)2
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CdSnO3 / Pnma (62) / materials id 849371
Description/Abstract:
Ab-initio phonon calculation for CdSnO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdSnO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) / materials id 9711
Description/Abstract:
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si5N8
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Description/Abstract:
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na6Ti2O7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700
Description/Abstract:
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
LiYF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Description/Abstract:
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KLa5(CCl5)2
,
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 Ba2SrI6 / Pbcn (60) / materials id 756624
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2SrI6
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Description/Abstract:
Ab-initio phonon calculation for SrCaSi / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Description/Abstract:
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaLiSiB3HO8
,
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 SbAsO3 / P2_1/c (14) / materials id 28109
Description/Abstract:
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbAsO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Description/Abstract:
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd2PCl2
,
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 Ba2Mg3H10 / C2/m (12) / materials id 733604
Description/Abstract:
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2Mg3H10
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) / materials id 673682
Description/Abstract:
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-42d (122)
,
Phonon
, and
YbTb2S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) / materials id 11695
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fmmm (69)
,
Phonon
, and
Rb2Pd3S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for InI / Cmcm (63) / materials id 23202
Description/Abstract:
Ab-initio phonon calculation for InI / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cmcm (63)
,
InI
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) / materials id 7249
Description/Abstract:
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba3Nb2ZnO9
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) / materials id 9077
Description/Abstract:
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nd2Be2SiO7
,
P-42_1m (113)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) / materials id 29143
Description/Abstract:
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3VS4
,
P-42_1c (114)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) / materials id 6037
Description/Abstract:
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2SmSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) / materials id 1392
Description/Abstract:
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZnP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) / materials id 556806
Description/Abstract:
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaNa2(SiO3)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262
Description/Abstract:
Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
K5YO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) / materials id 754266
Description/Abstract:
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li8TiS6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nb2Tl3CuSe12 / P2_1/c (14) / materials id 570757
Description/Abstract:
Ab-initio phonon calculation for Nb2Tl3CuSe12 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nb2Tl3CuSe12
,
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 CsIO3 / Pmn2_1 (31) / materials id 28295
Description/Abstract:
Ab-initio phonon calculation for CsIO3 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsIO3
,
Phonon
, and
Pmn2_1 (31)
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 KSb(PS3)2 / P2_1 (4) / materials id 556609
Description/Abstract:
Ab-initio phonon calculation for KSb(PS3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KSb(PS3)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsErZnTe3 / Cmcm (63) / materials id 569107
Description/Abstract:
Ab-initio phonon calculation for CsErZnTe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
CsErZnTe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2PdCl4 / P4/mmm (123) / materials id 22956
Description/Abstract:
Ab-initio phonon calculation for K2PdCl4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2PdCl4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nb2Bi2PbO9 / Cmc2_1 (36) / materials id 583454
Description/Abstract:
Ab-initio phonon calculation for Nb2Bi2PbO9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cmc2_1 (36)
,
Nb2Bi2PbO9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li4H6Os / R-3c (167) / materials id 642996
Description/Abstract:
Ab-initio phonon calculation for Li4H6Os / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li4H6Os
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr3SiO5 / I4/mcm (140) / materials id 979932
Description/Abstract:
Ab-initio phonon calculation for Sr3SiO5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mcm (140)
,
Phonon
, and
Sr3SiO5
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
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10,034
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
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simulation
10,034
Author
Atsushi Togo
10,034
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MEXT
10,034
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VASP
10,034
phonopy
10,034
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