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
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
0
-1
1.34
6.63
10.6
0.508
1.6998
1.268507
1.21
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
0
-1
1.34
6.63
10.6
0.508
1.5972
1.19194
1.12
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
0
-1
1.34
6.63
10.6
0.508
2.133
1.591791
1.59
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
0
-1
1.34
6.63
10.6
0.508
1.4148
1.055821
0.96
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
0
-1
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
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
0
-1
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
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
0
-1
1.34
6.63
10.6
0.508
1.3464
1.004776
0.9
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
0
-1
1.34
6.63
10.6
0.508
1.5174
1.132388
1.05
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
0
-1
1.34
6.63
10.6
0.508
2.0532
1.532239
1.52
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
0
-1
1.34
6.63
10.6
0.508
1.3806
1.030299
0.93
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
0
-1
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
0
-1
1.34
6.63
10.6
0.508
1.5402
1.149403
1.07
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
0
-1
1.34
6.63
10.6
0.508
1.8252
1.36209
1.32
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
0
-1
1.34
6.63
10.6
0.508
1.9962
1.489701
1.47
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
0
-1
1.34
6.63
10.6
0.508
1.4832
1.106866
1.02
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
0
-1
1.34
6.63
10.6
0.508
2.1102
1.574776
1.57
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
0
-1
1.34
6.63
10.6
0.508
1.5288
1.140896
1.06
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
0
-1
1.34
6.63
10.6
0.508
1.8138
1.353582
1.31
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
0
-1
1.34
6.63
10.6
0.508
1.9278
1.438657
1.41
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
0
-1
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
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
0
-1
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
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
0
-1
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
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
0
-1
1.34
6.63
10.6
0.508
1.8138
1.353582
1.31
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
0
-1
1.34
6.63
10.6
0.508
1.62
1.208955
1.14
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
0
-1
1.34
6.63
10.6
0.508
1.5174
1.132388
1.05
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
0
-1
1.34
6.63
10.6
0.508
1.5972
1.19194
1.12
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
0
-1
1.34
6.63
10.6
0.508
2.1786
1.625821
1.63
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
0
-1
1.34
6.63
10.6
0.508
1.4832
1.106866
1.02
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
0
-1
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
0
-1
1.34
6.63
10.6
0.508
1.5288
1.140896
1.06
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
0
-1
1.34
6.63
10.6
0.508
2.0646
1.540746
1.53
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
0
-1
1.34
6.63
10.6
0.508
1.848
1.379104
1.34
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
0
-1
1.34
6.63
10.6
0.508
1.8594
1.387612
1.35
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
0
-1
1.34
6.63
10.6
0.508
1.8936
1.413134
1.38
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
0
-1
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
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
0
-1
1.34
6.63
10.6
0.508
2.0418
1.523731
1.51
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
0
-1
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
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
0
-1
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
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
0
-1
1.34
6.63
10.6
0.508
1.7796
1.32806
1.28
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
0
-1
1.34
6.63
10.6
0.508
1.9164
1.430149
1.4
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
0
-1
1.34
6.63
10.6
0.508
2.1102
1.574776
1.57
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
0
-1
1.34
6.63
10.6
0.508
1.8936
1.413134
1.38
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
0
-1
1.34
6.63
10.6
0.508
1.8138
1.353582
1.31
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
0
-1
1.34
6.63
10.6
0.508
1.9962
1.489701
1.47
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
0
-1
1.34
6.63
10.6
0.508
1.8822
1.404627
1.37
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
0
-1
1.34
6.63
10.6
0.508
1.8252
1.36209
1.32
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
0
-1
1.34
6.63
10.6
0.508
2.1558
1.608806
1.61
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
0
-1
1.34
6.63
10.6
0.508
1.8252
1.36209
1.32
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
0
-1
1.34
6.63
10.6
0.508
1.8366
1.370597
1.33
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
0
-1
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
null
CdTe
Cd
Te
Sb
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
0
-1
1.34
6.63
10.6
0.508
1.9734
1.472687
1.45
null
CdTe
Cd
Te
Ru
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
0
-1
1.34
6.63
10.6
0.508
2.0874
1.557761
1.55
null
CdTe
Cd
Te
Zr
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.1672
1.617313
1.62
null
CdTe
Cd
Te
Nb
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.1444
1.600299
1.6
null
CdTe
Cd
Te
Cu
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
0
-1
1.34
6.63
10.6
0.508
1.9392
1.447164
1.42
null
CdTe
Cd
Te
B
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
0
-1
1.34
6.63
10.6
0.508
1.8822
1.404627
1.37
null
CdTe
Cd
Te
C
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
0
-1
1.34
6.63
10.6
0.508
1.8708
1.396119
1.36
null
CdTe
Cd
Te
Fe
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
0
-1
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
null
CdTe
Cd
Te
In
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.133
1.591791
1.59
null
CdTe
Cd
Te
P
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.0988
1.566269
1.56
null
CdTe
Cd
Te
Os
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
0
-1
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
null
CdTe
Cd
Te
Ta
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.19
1.634328
1.64
null
CdTe
Cd
Te
Bi
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
0
-1
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
null
CdTe
Cd
Te
V
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
0
-1
1.34
6.63
10.6
0.508
2.247
1.676866
1.69
null
CdTe
Cd
Te
Al
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.1558
1.608806
1.61
null
CdTe
Cd
Te
Co
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
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
Si
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
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
Re
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
0
-1
1.34
6.63
10.6
0.508
2.19
1.634328
1.64
null
CdTe
Cd
Te
P
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
0
-1
1.34
6.63
10.6
0.508
1.9734
1.472687
1.45
null
CdTe
Cd
Te
Au
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
0
-1
1.34
6.63
10.6
0.508
2.076
1.549254
1.54
null
CdTe
Cd
Te
Ca
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
1.962
1.464179
1.44
null
CdTe
Cd
Te
As
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.1558
1.608806
1.61
null
CdTe
Cd
Te
Si
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
0
-1
1.34
6.63
10.6
0.508
1.9392
1.447164
1.42
null
CdTe
Cd
Te
C
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
0
-1
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
null
CdTe
Cd
Te
V
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
0
-1
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
null
CdTe
Cd
Te
Ag
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
0
-1
1.34
6.63
10.6
0.508
2.1444
1.600299
1.6
null
CdTe
Cd
Te
Nb
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
0
-1
1.34
6.63
10.6
0.508
2.1786
1.625821
1.63
null
CdTe
Cd
Te
Sc
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.2584
1.685373
1.7
null
CdTe
Cd
Te
Br
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
W
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
0
-1
1.34
6.63
10.6
0.508
2.19
1.634328
1.64
null
CdTe
Cd
Te
Cu
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
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
Bi
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
0
-1
1.34
6.63
10.6
0.508
1.9962
1.489701
1.47
null
CdTe
Cd
Te
Mo
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
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
Na
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.0646
1.540746
1.53
null
CdTe
Cd
Te
Cr
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
0
-1
1.34
6.63
10.6
0.508
2.2698
1.693881
1.71
null
CdTe
Cd
Te
W
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
0
-1
1.34
6.63
10.6
0.508
2.2356
1.668358
1.68
null
CdTe
Cd
Te
W
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
0
-1
1.34
6.63
10.6
0.508
2.076
1.549254
1.54
null
CdTe
Cd
Te
I
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
-1
1.34
6.63
10.6
0.508
2.2926
1.710896
1.73
null
CdTe
Cd
Te
Li
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
0
-1
1.34
6.63
10.6
0.508
2.2926
1.710896
1.73
null
CdTe
Cd
Te
Cu
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
0
-1
1.34
6.63
10.6
0.508
2.2812
1.702388
1.72
null
CdTe
Cd
Te
Ag
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
0
-1
1.34
6.63
10.6
0.508
2.2812
1.702388
1.72
null
CdTe
Cd
Te
Mn
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
0
-1
1.34
6.63
10.6
0.508
2.2584
1.685373
1.7
null
CdTe
Cd
Te
Li
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
0
-1
1.34
6.63
10.6
0.508
2.2926
1.710896
1.73
null
CdTe
Cd
Te
Tc
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
0
-1
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
null
CdTe
Cd
Te
Mo
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
0
-1
1.34
6.63
10.6
0.508
2.2926
1.710896
1.73
null
CdTe
Cd
Te
Be
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
0
-1
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
null
CdTe
Cd
Te
Li
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
0
-1
1.34
6.63
10.6
0.508
2.3382
1.744925
1.77
null
CdTe
Cd
Te
Cr
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
0
-1
1.34
6.63
10.6
0.508
2.2812
1.702388
1.72
null
CdTe
Cd
Te
Sb
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
0
-1
1.34
6.63
10.6
0.508
2.1558
1.608806
1.61
null
CdTe
Cd
Te
Na
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
0
-1
1.34
6.63
10.6
0.508
2.3268
1.736418
1.76
null