Transition-metal-Chalcogens / data /C2DB_CBM_gw.csv
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Formula,Conduction band minimum (G₀W₀)
Al2O2,0.394
Al2S2,0.186
Al2Se2,0.41400000000000003
Al2Te2,0.477
AlAs,-1.328
AlSb,-1.267
As4,-0.544
AsB,-1.774
AsBrS,-1.303
AsBrSe,-1.137
AsBrTe,-1.067
AsClS,-1.4264999999999999
AsClSe,-1.2890000000000001
AsClTe,-1.198
AsIS,-0.9390000000000001
AsISe,-0.7785
AsITe,-0.6819999999999999
Au2O2,-2.093
BN,1.62
BP,-1.779
BSb,-1.884
BaBr2,0.592
BaCl2,1.1275
Bi2O2,-0.295
BiBrS,-1.982
BiBrSe,-1.9180000000000001
BiBrTe,-1.7405
BiClS,-2.1255
BiClSe,-2.0244999999999997
BiClTe,-1.822
BiIS,-1.6019999999999999
BiISe,-1.536
BiITe,-1.412
Br2Ge,-0.7275
BrSSb,-1.4355
BrSbSe,-1.2875
BrSbTe,-1.1
C2F2,0.788
C2H2,1.753
CF2Si,-1.24
CH2Si,1.401
CaBr2,1.0685
CaCl2,1.3495
CaF2,0.879
CaI2,1.438
CdBr2,-0.7313333333333333
CdCl2,-0.8003333333333332
CdF2,-1.486
CdI2,-0.1515
Cl2Ge,-0.7965
ClSSb,-1.6025
ClSbSe,-1.4409999999999998
ClSbTe,-1.2205
CoBr2,-1.712
CrO2,-2.846
CrS2,-0.421
CrSSe,-0.202
CrSTe,-0.172
CrSe2,0.028
CrSeTe,0.188
CrTe2,0.392
Cu2Br2,-0.1805
Cu2Cl2,-0.646
Cu2I2,0.992
Cu2S2,-2.566
F2Ge,-0.946
F2Ge2,-4.365
F2Si2,-2.638
FeBr2,-0.613
FeCl2,-0.6705
FeI2,0.419
Ga2O2,-0.785
Ga2S2,0.33699999999999997
Ga2Se2,0.222
Ga2Te2,0.344
GaAs,-1.582
GaN,-0.538
GaP,-1.145
Ge2H2,-1.415
Ge2S2,0.072
Ge2Se2,0.065
Ge2Te2,0.226
GeI2,-0.25
GeO,-1.134
GeO2,-1.217
GeS,-0.534
GeS2,-1.072
GeSe,-0.473
GeTe,-0.537
H2Si2,-0.629
HfBr2,1.761
HfBrCl,1.824
HfBrI,2.082
HfCl2,1.754
HfClI,2.043
HfI2,2.118
HfO2,0.11333333333333336
HfS2,-1.0665
HfSSe,-1.161
HfSe2,-0.8480000000000001
HfSeTe,-0.816
HfTe2,-0.766
HgBr2,-1.7415
HgCl2,-1.9005
HgI2,-1.1695
HgTe,-3.24
ISSb,-1.0
ISbSe,-0.872
ISbTe,-0.736
In2O2,-1.746
In2S2,-0.3735
In2Se2,-0.263
In2Te2,0.091
InAs,-1.999
InN,-1.864
InP,-1.748
InSb,-1.95
Ir2O2,0.327
Ir2S2,0.818
Ir2Se2,1.469
MgBr2,0.7875000000000001
MgCl2,1.221
MgI2,1.077
MnBr2,0.642
MnCl2,0.634
MnO2,-1.587
MoO2,-0.468
MoOS,0.514
MoOSe,0.797
MoS2,1.103
MoSSe,1.276
MoSTe,1.319
MoSe2,1.434
MoSeTe,1.57
MoTe2,1.597
NiBr2,-0.989
NiCl2,-0.579
NiO2,-2.904
NiS2,-1.187
OsBr2,1.03
OsCl2,1.175
OsI2,1.451
P4,-0.698
Pb2S2,0.203
Pb2Se2,-0.144
Pb2Te2,-0.147
PbBr2,-1.379
PbCl2,-1.2930000000000001
PbI2,-0.9864999999999999
PbO,-1.028
PbO2,-3.333
PbS,-0.978
PbS2,-2.318
PbSe,-0.967
PbSe2,-2.459
PbTe,-0.906
Pd2F2,-1.891
PdCl2,-1.557
PdO2,-2.047
PdS2,-1.113
PdSe2,-0.862
Pt2Cl2,0.548
PtCl2,-0.927
PtO2,-0.942
PtS2,-0.368
PtSe2,-0.189
PtTe2,0.175
Rh2Se2,0.82
RuBr2,0.828
RuCl2,-0.1275
RuI2,1.115
S2Si,-0.785
S2Si2,-0.485
Sc2O2,0.827
Sc2S2,-0.409
Sc2Se2,-0.283
Sc2Te2,-0.186
ScH2,-1.216
ScO2,-1.999
ScS2,-1.552
Se2Si,-1.011
Se2Si2,-0.38
Si2Te2,0.125
Sn2H2,-2.479
Sn2S2,0.255
Sn2Se2,0.006
Sn2Te2,0.045
SnBr2,-0.9675
SnCl2,-1.02
SnF2,-0.837
SnI2,-0.45399999999999996
SnO,-1.086
SnO2,-2.404333333333333
SnS,-0.704
SnS2,-1.297
SnSe,-0.553
SnSe2,-1.341
SnTe,-0.502
SrBr2,0.741
SrCl2,0.99
SrF2,0.835
SrI2,0.889
Ti2Te2,0.654
TiBr2,1.284
TiBrCl,1.095
TiBrI,1.369
TiCl2,1.135
TiClI,1.368
TiI2,1.508
TiO2,-1.1546666666666667
TiS2,-1.4465
TiSSe,-1.174
TiSe2,-0.955
Tl2S2,-1.6175000000000002
Tl2Se2,-1.42
V2S2,-0.158
V2Se2,-0.019
V2Te2,-0.004
VBr2,1.388
VCl2,1.304
VSe2,-0.712
VTe2,2.202
WO2,-0.046
WOSe,1.186
WOTe,0.981
WS2,1.159
WSSe,1.306
WSTe,1.397
WSe2,1.477
WSeTe,1.564
WTe2,1.44
YBr2,0.59
YCl2,0.566
Zn2S2,0.011
ZnBr2,-0.22999999999999998
ZnCl2,0.05666666666666667
ZnF2,-0.814
ZnI2,-0.146
Zr2Te2,0.8375
ZrBr2,1.562
ZrBrCl,1.601
ZrBrI,1.869
ZrCl2,1.481
ZrClI,1.833
ZrI2,1.924
ZrO2,0.1556666666666667
ZrS2,-1.1280000000000001
ZrSSe,-1.166
ZrSTe,-0.834
ZrSe2,-0.917
ZrSeTe,-0.773
ZrTe2,-0.76