Datasets:
foundry-ml
/
semiconductor_defectlevels_v1-1

Dataset card Data Studio Files
xet
Community
host_material
string
host_element_a
string
host_element_b
string
impurity
string
removed_element
string
site_type
string
site
string
is_a_latt
int64
is_interstitial
int64
is_interstitial_a
int64
is_interstitial_b
int64
is_interstitial_n
int64
M_Al
int64
M_As
int64
M_Cd
int64
M_Ga
int64
M_In
int64
M_P
int64
M_S
int64
M_Sb
int64
M_Se
int64
M_Te
int64
M_i_Cd_site
int64
M_i_S_site
int64
M_i_Se_site
int64
M_i_Te_site
int64
M_i_neut_site
int64
charge_from
int64
charge_to
int64
host bandgap_[eV]
float64
host lattice constant_[Ang.]
float64
host_epsilon
float64
ba_shift
float64
mba_pbe
float64
mba_pbe_gapfrac
float64
pbe defect level (relative to VBM)_[eV]
float64
hse defect level (relative to VBM)_[eV]
float64
CdTe
Cd
Te
I
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0336
2.263881
2.38
null
CdTe
Cd
Te
Tc
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8056
2.093731
2.18
null
CdTe
Cd
Te
Pt
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9538
2.204328
2.31
null
CdTe
Cd
Te
Pb
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.1476
2.348955
2.48
null
CdTe
Cd
Te
Pt
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
3.045
2.272388
2.39
null
CdTe
Cd
Te
Sn
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7144
2.025672
2.1
null
CdTe
Cd
Te
Ir
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.532
1.889552
1.94
null
CdTe
Cd
Te
Tc
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7714
2.068209
2.15
null
CdTe
Cd
Te
Al
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.076
1.549254
1.54
null
CdTe
Cd
Te
Fe
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8056
2.093731
2.18
null
CdTe
Cd
Te
Ge
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0336
2.263881
2.38
null
CdTe
Cd
Te
Be
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.0874
1.557761
1.55
null
CdTe
Cd
Te
Se
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.76
2.059701
2.14
null
CdTe
Cd
Te
Ga
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.076
1.549254
1.54
null
CdTe
Cd
Te
V
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6118
1.949104
2.01
null
CdTe
Cd
Te
Hg
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0792
2.29791
2.42
null
CdTe
Cd
Te
I
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
3.1134
2.323433
2.45
null
CdTe
Cd
Te
P
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.3382
1.744925
1.77
null
CdTe
Cd
Te
Nb
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.5662
1.915075
1.97
null
CdTe
Cd
Te
Ru
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7714
2.068209
2.15
null
CdTe
Cd
Te
Pb
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7486
2.051194
2.13
null
CdTe
Cd
Te
Co
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6688
1.991642
2.06
null
CdTe
Cd
Te
Ta
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6802
2.000149
2.07
null
CdTe
Cd
Te
W
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6802
2.000149
2.07
null
CdTe
Cd
Te
S
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.817
2.102239
2.19
null
CdTe
Cd
Te
Ni
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.9994
2.238358
2.35
null
CdTe
Cd
Te
S
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.6574
1.983134
2.05
null
CdTe
Cd
Te
Ru
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9766
2.221343
2.33
null
CdTe
Cd
Te
S
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6346
1.966119
2.03
null
CdTe
Cd
Te
I
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
3.102
2.314925
2.44
null
CdTe
Cd
Te
Rh
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.931
2.187313
2.29
null
CdTe
Cd
Te
Re
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7258
2.034179
2.11
null
CdTe
Cd
Te
In
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.304
1.719403
1.74
null
CdTe
Cd
Te
Sn
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.1362
2.340448
2.47
null
CdTe
Cd
Te
Sc
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.5206
1.881045
1.93
null
CdTe
Cd
Te
Zn
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.045
2.272388
2.39
null
CdTe
Cd
Te
Os
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.817
2.102239
2.19
null
CdTe
Cd
Te
Se
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.7144
2.025672
2.1
null
CdTe
Cd
Te
As
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.4864
1.855522
1.9
null
CdTe
Cd
Te
Rh
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.76
2.059701
2.14
null
CdTe
Cd
Te
Si
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0108
2.246866
2.36
null
CdTe
Cd
Te
Mn
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
null
CdTe
Cd
Te
Ir
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.9196
2.178806
2.28
null
CdTe
Cd
Te
Hg
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
3.1818
2.374478
2.51
null
CdTe
Cd
Te
N
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.4554
2.578657
2.75
null
CdTe
Cd
Te
Se
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.8626
2.136269
2.23
null
CdTe
Cd
Te
Te
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8512
2.127761
2.22
null
CdTe
Cd
Te
Ti
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.988
2.229851
2.34
null
CdTe
Cd
Te
Br
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8056
2.093731
2.18
null
CdTe
Cd
Te
Se
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.988
2.229851
2.34
null
CdTe
Cd
Te
Tl
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.4066
1.79597
1.83
null
CdTe
Cd
Te
Tl
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0564
2.280896
2.4
null
CdTe
Cd
Te
V
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9082
2.170299
2.27
null
CdTe
Cd
Te
Ni
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9424
2.195821
2.3
null
CdTe
Cd
Te
Hf
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7714
2.068209
2.15
null
CdTe
Cd
Te
Ni
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.9424
2.195821
2.3
null
CdTe
Cd
Te
Te
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.8284
2.110746
2.2
null
CdTe
Cd
Te
Mo
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
null
CdTe
Cd
Te
Rh
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8512
2.127761
2.22
null
CdTe
Cd
Te
Os
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9766
2.221343
2.33
null
CdTe
Cd
Te
Mo
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9994
2.238358
2.35
null
CdTe
Cd
Te
Hg
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
3.1704
2.36597
2.5
null
CdTe
Cd
Te
Os
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.874
2.144776
2.24
null
CdTe
Cd
Te
Y
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6688
1.991642
2.06
null
CdTe
Cd
Te
Ir
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.6916
2.008657
2.08
null
CdTe
Cd
Te
Zr
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7714
2.068209
2.15
null
CdTe
Cd
Te
Au
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.9766
2.221343
2.33
null
CdTe
Cd
Te
Be
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.988
2.229851
2.34
null
CdTe
Cd
Te
Ti
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7486
2.051194
2.13
null
CdTe
Cd
Te
P
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
null
CdTe
Cd
Te
Zn
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.4636
1.838507
1.88
null
CdTe
Cd
Te
I
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0336
2.263881
2.38
null
CdTe
Cd
Te
F
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
null
CdTe
Cd
Te
Tc
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.8854
2.153284
2.25
null
CdTe
Cd
Te
Ir
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7372
2.042687
2.12
null
CdTe
Cd
Te
Ru
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.8284
2.110746
2.2
null
CdTe
Cd
Te
As
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
2.3952
1.787463
1.82
null
CdTe
Cd
Te
Cd
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0792
2.29791
2.42
null
CdTe
Cd
Te
Cu
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.532
1.889552
1.94
null
CdTe
Cd
Te
Re
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.9082
2.170299
2.27
null
CdTe
Cd
Te
Tc
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8968
2.161791
2.26
null
CdTe
Cd
Te
Te
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.931
2.187313
2.29
null
CdTe
Cd
Te
B
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.9538
2.204328
2.31
null
CdTe
Cd
Te
Te
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0906
2.306418
2.43
null
CdTe
Cd
Te
Cr
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6346
1.966119
2.03
null
CdTe
Cd
Te
B
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.874
2.144776
2.24
null
CdTe
Cd
Te
Mg
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6232
1.957612
2.02
null
CdTe
Cd
Te
Co
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.8854
2.153284
2.25
null
CdTe
Cd
Te
W
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
3.0108
2.246866
2.36
null
CdTe
Cd
Te
N
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
2.76
2.059701
2.14
null
CdTe
Cd
Te
Sb
0
int_3
M_i_Cd_site
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
null
CdTe
Cd
Te
Cd
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.646
1.974627
2.04
null
CdTe
Cd
Te
La
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.8056
2.093731
2.18
null
CdTe
Cd
Te
Ga
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.931
2.187313
2.29
null
CdTe
Cd
Te
Au
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7486
2.051194
2.13
null
CdTe
Cd
Te
Zn
0
int_5
M_i_Te_site
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
-2
-3
1.34
6.63
10.6
0.508
3.1248
2.33194
2.46
null
CdTe
Cd
Te
Hg
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.6916
2.008657
2.08
null
CdTe
Cd
Te
Ag
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.7372
2.042687
2.12
null
CdTe
Cd
Te
Zn
0
int_neut
M_i_neut_site
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
-2
-3
1.34
6.63
10.6
0.508
3.102
2.314925
2.44
null
CdTe
Cd
Te
Li
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-2
-3
1.34
6.63
10.6
0.508
2.532
1.889552
1.94
null