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
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
1
1.34
6.63
10.6
0.508
0.7194
0.536866
0.35
0.814073
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
1
0
1.34
6.63
10.6
0.508
0.7992
0.596418
0.42
0.814073
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
0
-1
1.34
6.63
10.6
0.508
1.0614
0.79209
0.65
0.838307
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
1
1.34
6.63
10.6
0.508
0.7764
0.579403
0.4
0.91884
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
1
1.34
6.63
10.6
0.508
0.936
0.698507
0.54
0.969872
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
1
0
1.34
6.63
10.6
0.508
1.1868
0.885672
0.76
0.976238
CdTe
Cd
Te
Si
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-1
-2
1.34
6.63
10.6
0.508
1.0386
0.775075
0.63
1.014151
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
1
1.34
6.63
10.6
0.508
1.0956
0.817612
0.68
1.020668
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
1
1.34
6.63
10.6
0.508
0.7878
0.58791
0.41
1.021408
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
1
0
1.34
6.63
10.6
0.508
0.7878
0.58791
0.41
1.021408
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
1
1.34
6.63
10.6
0.508
0.7422
0.553881
0.37
1.032779
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
1
0
1.34
6.63
10.6
0.508
0.9132
0.681493
0.52
1.058792
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
1
0
1.34
6.63
10.6
0.508
1.0158
0.75806
0.61
1.103366
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
1
1.34
6.63
10.6
0.508
1.0044
0.749552
0.6
1.116035
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
1
0
1.34
6.63
10.6
0.508
1.3122
0.979254
0.87
1.116035
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
1
0
1.34
6.63
10.6
0.508
1.3806
1.030299
0.93
1.153486
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
1
0
1.34
6.63
10.6
0.508
1.0386
0.775075
0.63
1.203069
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
1
0
1.34
6.63
10.6
0.508
1.0956
0.817612
0.68
1.284377
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
1
0
1.34
6.63
10.6
0.508
1.3236
0.987761
0.88
1.288997
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
0
-1
1.34
6.63
10.6
0.508
1.4034
1.047313
0.95
1.29065
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
-1
-2
1.34
6.63
10.6
0.508
1.2552
0.936716
0.82
1.340254
CdTe
Cd
Te
Hf
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
1
1.34
6.63
10.6
0.508
1.1982
0.894179
0.77
1.350733
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
1
0
1.34
6.63
10.6
0.508
1.278
0.953731
0.84
1.378974
CdTe
Cd
Te
Cd
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
1
1.34
6.63
10.6
0.508
1.1526
0.860149
0.73
1.387145
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
0
-1
1.34
6.63
10.6
0.508
1.3122
0.979254
0.87
1.398731
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
0
-1
1.34
6.63
10.6
0.508
1.2552
0.936716
0.82
1.405386
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
1
1.34
6.63
10.6
0.508
1.0842
0.809104
0.67
1.419968
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
0
-1
1.34
6.63
10.6
0.508
1.4946
1.115373
1.03
1.429989
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
1
0
1.34
6.63
10.6
0.508
1.335
0.996269
0.89
1.447075
CdTe
Cd
Te
Fe
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
1
1.34
6.63
10.6
0.508
0.6624
0.494328
0.3
1.454956
CdTe
Cd
Te
Fe
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
1
0
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
1.454956
CdTe
Cd
Te
Cd
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
1
1.34
6.63
10.6
0.508
1.2096
0.902687
0.78
1.497988
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
1
1.34
6.63
10.6
0.508
1.1754
0.877164
0.75
1.507052
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
1
0
1.34
6.63
10.6
0.508
1.392
1.038806
0.94
1.507052
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
-1
-2
1.34
6.63
10.6
0.508
1.8366
1.370597
1.33
1.517271
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
-1
-2
1.34
6.63
10.6
0.508
1.8366
1.370597
1.33
1.530321
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
1
0
1.34
6.63
10.6
0.508
0.5598
0.417761
0.21
1.577144
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
0
-1
1.34
6.63
10.6
0.508
1.8024
1.345075
1.3
1.577144
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
-1
-2
1.34
6.63
10.6
0.508
1.791
1.336567
1.29
1.589949
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
0
-1
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
1.595465
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
0
-1
1.34
6.63
10.6
0.508
1.7112
1.277015
1.22
1.599922
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
0
-1
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
1.622692
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
1
0
1.34
6.63
10.6
0.508
1.1868
0.885672
0.76
1.629135
CdTe
Cd
Te
Nb
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
1
1.34
6.63
10.6
0.508
1.4946
1.115373
1.03
1.629475
CdTe
Cd
Te
Nb
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
1
0
1.34
6.63
10.6
0.508
1.5858
1.183433
1.11
1.629475
CdTe
Cd
Te
Sn
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
1
1.34
6.63
10.6
0.508
1.4604
1.089851
1
1.660724
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
0
-1
1.34
6.63
10.6
0.508
1.8708
1.396119
1.36
1.672918
CdTe
Cd
Te
Sr
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
1
1.34
6.63
10.6
0.508
1.5402
1.149403
1.07
1.69575
CdTe
Cd
Te
Cd
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
1
0
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
1.703316
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
0
-1
1.34
6.63
10.6
0.508
1.4148
1.055821
0.96
1.716088
CdTe
Cd
Te
Au
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
1
0
1.34
6.63
10.6
0.508
1.5174
1.132388
1.05
1.725998
CdTe
Cd
Te
Co
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
1
0
1.34
6.63
10.6
0.508
1.62
1.208955
1.14
1.727269
CdTe
Cd
Te
Cd
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
1
0
1.34
6.63
10.6
0.508
1.5972
1.19194
1.12
1.727408
CdTe
Cd
Te
Zr
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
1
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
1.731327
CdTe
Cd
Te
Ca
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
1
1.34
6.63
10.6
0.508
1.5402
1.149403
1.07
1.738802
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
1
0
1.34
6.63
10.6
0.508
1.449
1.081343
0.99
1.739993
CdTe
Cd
Te
Pb
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
1
1.34
6.63
10.6
0.508
1.5516
1.15791
1.08
1.74348
CdTe
Cd
Te
Ba
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
1
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
1.783209
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
0
-1
1.34
6.63
10.6
0.508
1.734
1.29403
1.24
1.790029
CdTe
Cd
Te
Ge
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
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
1.814336
CdTe
Cd
Te
Hf
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
1.821688
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
0
-1
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
1.874721
CdTe
Cd
Te
B
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
1
0
1.34
6.63
10.6
0.508
1.6884
1.26
1.2
1.878501
CdTe
Cd
Te
As
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
1
0
1.34
6.63
10.6
0.508
1.6998
1.268507
1.21
1.886184
CdTe
Cd
Te
Cl
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
1.887746
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
-1
-2
1.34
6.63
10.6
0.508
2.2242
1.659851
1.67
1.93205
CdTe
Cd
Te
Au
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
1.8366
1.370597
1.33
1.932087
CdTe
Cd
Te
Cr
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
1
0
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
1.933622
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
-1
-2
1.34
6.63
10.6
0.508
2.304
1.719403
1.74
1.94036
CdTe
Cd
Te
As
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
1.945767
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
0
-1
1.34
6.63
10.6
0.508
1.8138
1.353582
1.31
1.952484
CdTe
Cd
Te
K
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
1
0
1.34
6.63
10.6
0.508
1.8594
1.387612
1.35
1.966779
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
0
-1
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
1.970868
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
0
-1
1.34
6.63
10.6
0.508
1.905
1.421642
1.39
1.97678
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
-1
-2
1.34
6.63
10.6
0.508
1.8708
1.396119
1.36
1.980227
CdTe
Cd
Te
Al
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
1
0
1.34
6.63
10.6
0.508
1.8594
1.387612
1.35
2.004312
CdTe
Cd
Te
Ga
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
1
0
1.34
6.63
10.6
0.508
1.8252
1.36209
1.32
2.007099
CdTe
Cd
Te
Na
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
1
0
1.34
6.63
10.6
0.508
1.848
1.379104
1.34
2.008569
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
-1
-2
1.34
6.63
10.6
0.508
1.8822
1.404627
1.37
2.016233
CdTe
Cd
Te
Y
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
1
1.34
6.63
10.6
0.508
1.7568
1.311045
1.26
2.022328
CdTe
Cd
Te
Rb
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
1
0
1.34
6.63
10.6
0.508
1.9278
1.438657
1.41
2.028347
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
0
-1
1.34
6.63
10.6
0.508
1.848
1.379104
1.34
2.035554
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
-1
-2
1.34
6.63
10.6
0.508
1.9848
1.481194
1.46
2.035554
CdTe
Cd
Te
Sn
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
1
0
1.34
6.63
10.6
0.508
1.9278
1.438657
1.41
2.048299
CdTe
Cd
Te
Bi
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1.34
6.63
10.6
0.508
1.8366
1.370597
1.33
2.054151
CdTe
Cd
Te
Ru
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
1.4034
1.047313
0.95
2.079072
CdTe
Cd
Te
Ru
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-1
-2
1.34
6.63
10.6
0.508
1.9278
1.438657
1.41
2.079072
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
-1
-2
1.34
6.63
10.6
0.508
2.1672
1.617313
1.62
2.081451
CdTe
Cd
Te
Co
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
2.087315
CdTe
Cd
Te
Be
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
2.109256
CdTe
Cd
Te
Pd
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
2.117381
CdTe
Cd
Te
C
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
2.138076
CdTe
Cd
Te
Se
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
1.9848
1.481194
1.46
2.161623
CdTe
Cd
Te
N
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
-1
-2
1.34
6.63
10.6
0.508
1.962
1.464179
1.44
2.167496
CdTe
Cd
Te
Sr
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
1
0
1.34
6.63
10.6
0.508
2.0418
1.523731
1.51
2.175493
CdTe
Cd
Te
Pb
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
1
0
1.34
6.63
10.6
0.508
2.0532
1.532239
1.52
2.218131
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
-1
-2
1.34
6.63
10.6
0.508
2.3382
1.744925
1.77
2.226658
CdTe
Cd
Te
Sc
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
1
1.34
6.63
10.6
0.508
1.4832
1.106866
1.02
2.229071
CdTe
Cd
Te
Sc
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
1
0
1.34
6.63
10.6
0.508
1.9506
1.455672
1.43
2.229071
CdTe
Cd
Te
Zr
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
1
0
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
2.236576