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Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) / materials id 8985
Description/Abstract:
Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba2YC2(O2F)3
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsK2Ho(PO4)2 / P-3m1 (164) / materials id 573324
Description/Abstract:
Ab-initio phonon calculation for CsK2Ho(PO4)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsK2Ho(PO4)2
,
P-3m1 (164)
, and
Phonon
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 Sm2SiSeO4 / Pbcm (57) / materials id 18610
Description/Abstract:
Ab-initio phonon calculation for Sm2SiSeO4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pbcm (57)
,
Phonon
, and
Sm2SiSeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiSb3O8 / P2_1/c (14) / materials id 29892
Description/Abstract:
Ab-initio phonon calculation for LiSb3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiSb3O8
,
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 NbSbO4 / Pna2_1 (33) / materials id 3491
Description/Abstract:
Ab-initio phonon calculation for NbSbO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NbSbO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LaTiNO2 / P2_1 (4) / materials id 775918
Description/Abstract:
Ab-initio phonon calculation for LaTiNO2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LaTiNO2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for RbPbF3 / Cc (9) / materials id 674508
Description/Abstract:
Ab-initio phonon calculation for RbPbF3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
Phonon
, and
RbPbF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ScOF / P2_1/c (14) / materials id 4662
Description/Abstract:
Ab-initio phonon calculation for ScOF / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ScOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca3(GaN2)2 / C2/c (15) / materials id 571162
Description/Abstract:
Ab-initio phonon calculation for Ca3(GaN2)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
Ca3(GaN2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for La2Th5O13 / R3m (160) / materials id 756142
Description/Abstract:
Ab-initio phonon calculation for La2Th5O13 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2Th5O13
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li7TaO6 / R3 (146) / materials id 28891
Description/Abstract:
Ab-initio phonon calculation for Li7TaO6 / R3 (146) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li7TaO6
,
Phonon
, and
R3 (146)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) / materials id 13282
Description/Abstract:
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sm(ErSe2)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) / materials id 18101
Description/Abstract:
Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K2Cd3S4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2AgAu3I8 / C2/c (15) / materials id 570536
Description/Abstract:
Ab-initio phonon calculation for Rb2AgAu3I8 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
Phonon
, and
Rb2AgAu3I8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Dy2TeO6 / P321 (150) / materials id 769039
Description/Abstract:
Ab-initio phonon calculation for Dy2TeO6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2TeO6
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) / materials id 752501
Description/Abstract:
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiSiBiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2PtI6 / P4/mnc (128) / materials id 28247
Description/Abstract:
Ab-initio phonon calculation for K2PtI6 / P4/mnc (128) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2PtI6
,
P4/mnc (128)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SbO2F / C2/c (15) / materials id 752753
Description/Abstract:
Ab-initio phonon calculation for SbO2F / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/c (15)
,
Phonon
, and
SbO2F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369
Description/Abstract:
Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca2Zr5Ti2O16
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na5TlO4 / Pbca (61) / materials id 7652
Description/Abstract:
Ab-initio phonon calculation for Na5TlO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na5TlO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) / materials id 684679
Description/Abstract:
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sb6O13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PbSe2O5 / P2_1/c (14) / materials id 662535
Description/Abstract:
Ab-initio phonon calculation for PbSe2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
PbSe2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrAlF5 / P2_1/c (14) / materials id 16557
Description/Abstract:
Ab-initio phonon calculation for SrAlF5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrAlF5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2SnSe3 / P2_1/c (14) / materials id 568543
Description/Abstract:
Ab-initio phonon calculation for Na2SnSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2SnSe3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(InS2)2 / Fddd (70) / materials id 21943
Description/Abstract:
Ab-initio phonon calculation for Ba(InS2)2 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(InS2)2
,
Fddd (70)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2NbAgS4 / Fddd (70) / materials id 14636
Description/Abstract:
Ab-initio phonon calculation for Rb2NbAgS4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fddd (70)
,
Phonon
, and
Rb2NbAgS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2Se2O / P2_1/c (14) / materials id 755362
Description/Abstract:
Ab-initio phonon calculation for Sm2Se2O / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sm2Se2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) / materials id 861914
Description/Abstract:
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3Co(CN)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiCaGaF6 / P-31c (163) / materials id 12829
Description/Abstract:
Ab-initio phonon calculation for LiCaGaF6 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LiCaGaF6
,
P-31c (163)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) / materials id 40484
Description/Abstract:
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
NaNd3Ti2(SbO7)2
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na4Ti5O12 / C2/c (15) / materials id 760184
Description/Abstract:
Ab-initio phonon calculation for Na4Ti5O12 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Na4Ti5O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2Pt2O7 / Fd-3m (227) / materials id 756148
Description/Abstract:
Ab-initio phonon calculation for Sm2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Pt2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Er2C(NO)2 / P-3m1 (164) / materials id 6574
Description/Abstract:
Ab-initio phonon calculation for Er2C(NO)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Er2C(NO)2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) / materials id 558325
Description/Abstract:
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
K2YNb5O15
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HfSnS3 / Pnma (62) / materials id 8725
Description/Abstract:
Ab-initio phonon calculation for HfSnS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfSnS3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BrF3 / Cmc2_1 (36) / materials id 23297
Description/Abstract:
Ab-initio phonon calculation for BrF3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BrF3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3NdSi2O7 / P6_3/mcm (193) / materials id 8614
Description/Abstract:
Ab-initio phonon calculation for K3NdSi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3NdSi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3Bi2Br9 / C2/c (15) / materials id 680674
Description/Abstract:
Ab-initio phonon calculation for Cs3Bi2Br9 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Cs3Bi2Br9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) / materials id 22694
Description/Abstract:
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiPPbO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for As2PbS4 / Pnma (62) / materials id 19941
Description/Abstract:
Ab-initio phonon calculation for As2PbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2PbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556784
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) / materials id 8866
Description/Abstract:
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La10Se19
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaP4N7 / C2/c (15) / materials id 29598
Description/Abstract:
Ab-initio phonon calculation for NaP4N7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
NaP4N7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Dy3CuSnS7 / P6_3 (173) / materials id 561499
Description/Abstract:
Ab-initio phonon calculation for Dy3CuSnS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy3CuSnS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Ho(BO3)3 / P6_3cm (185) / materials id 14384
Description/Abstract:
Ab-initio phonon calculation for Ba3Ho(BO3)3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Ho(BO3)3
,
P6_3cm (185)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) / materials id 765970
Description/Abstract:
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
Phonon
, and
Ti3Sn7O20
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2NaAl2(PO4)3 / P2_1/c (14) / materials id 559610
Description/Abstract:
Ab-initio phonon calculation for Rb2NaAl2(PO4)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2NaAl2(PO4)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsTi3P5O19 / Cm (8) / materials id 561121
Description/Abstract:
Ab-initio phonon calculation for CsTi3P5O19 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cm (8)
,
CsTi3P5O19
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlH3 / Pnnm (58) / materials id 570130
Description/Abstract:
Ab-initio phonon calculation for AlH3 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
AlH3
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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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10,034
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Atsushi Togo
10,034
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MEXT
10,034
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VASP
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phonopy
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