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
N
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
2.5548
1.906567
1.96
null
CdTe
Cd
Te
Sb
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
2.3724
1.770448
1.8
null
CdTe
Cd
Te
Au
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
2.3496
1.753433
1.78
null
CdTe
Cd
Te
Ca
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
2.6802
2.000149
2.07
null
CdTe
Cd
Te
Br
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
2.4522
1.83
1.87
null
CdTe
Cd
Te
Sr
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
2.7258
2.034179
2.11
null
CdTe
Cd
Te
K
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
2.4864
1.855522
1.9
null
CdTe
Cd
Te
Br
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
2.5092
1.872537
1.92
null
CdTe
Cd
Te
Ni
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
1.7568
1.311045
1.26
null
CdTe
Cd
Te
Pd
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
1.4946
1.115373
1.03
null
CdTe
Cd
Te
Cl
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
2.475
1.847015
1.89
null
CdTe
Cd
Te
Bi
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
2.3838
1.778955
1.81
null
CdTe
Cd
Te
Ba
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
2.7942
2.085224
2.17
null
CdTe
Cd
Te
Ge
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
1.1412
0.851642
0.72
null
CdTe
Cd
Te
O
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
1.164
0.868657
0.74
null
CdTe
Cd
Te
Cl
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
1.9506
1.455672
1.43
null
CdTe
Cd
Te
Cl
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
2.4636
1.838507
1.88
null
CdTe
Cd
Te
Rb
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
2.5662
1.915075
1.97
null
CdTe
Cd
Te
Rh
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Pd
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
2.5776
1.923582
1.98
null
CdTe
Cd
Te
S
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
1.2096
0.902687
0.78
null
CdTe
Cd
Te
Br
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
2.4864
1.855522
1.9
null
CdTe
Cd
Te
Pt
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
1.6086
1.200448
1.13
null
CdTe
Cd
Te
Pd
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
2.6004
1.940597
2
null
CdTe
Cd
Te
C
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
2.133
1.591791
1.59
null
CdTe
Cd
Te
Cs
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
2.5662
1.915075
1.97
null
CdTe
Cd
Te
O
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
2.019
1.506716
1.49
null
CdTe
Cd
Te
Fe
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
2.1786
1.625821
1.63
null
CdTe
Cd
Te
Cr
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
2.4066
1.79597
1.83
null
CdTe
Cd
Te
Pt
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
2.3154
1.72791
1.75
null
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
-1
-2
1.34
6.63
10.6
0.508
2.5092
1.872537
1.92
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
-1
-2
1.34
6.63
10.6
0.508
2.2926
1.710896
1.73
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
-1
-2
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
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
-1
-2
1.34
6.63
10.6
0.508
2.589
1.93209
1.99
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
-1
-2
1.34
6.63
10.6
0.508
1.392
1.038806
0.94
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
-1
-2
1.34
6.63
10.6
0.508
1.962
1.464179
1.44
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
-1
-2
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
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
-1
-2
1.34
6.63
10.6
0.508
2.3154
1.72791
1.75
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
-1
-2
1.34
6.63
10.6
0.508
2.6118
1.949104
2.01
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
-1
-2
1.34
6.63
10.6
0.508
1.5744
1.174925
1.1
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
-1
-2
1.34
6.63
10.6
0.508
1.4718
1.098358
1.01
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
-1
-2
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
-1
-2
1.34
6.63
10.6
0.508
2.2698
1.693881
1.71
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
-1
-2
1.34
6.63
10.6
0.508
2.6688
1.991642
2.06
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
-1
-2
1.34
6.63
10.6
0.508
1.9164
1.430149
1.4
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
-1
-2
1.34
6.63
10.6
0.508
2.2128
1.651343
1.66
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
-1
-2
1.34
6.63
10.6
0.508
2.1558
1.608806
1.61
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
-1
-2
1.34
6.63
10.6
0.508
1.5402
1.149403
1.07
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
-1
-2
1.34
6.63
10.6
0.508
2.0988
1.566269
1.56
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
-1
-2
1.34
6.63
10.6
0.508
1.8936
1.413134
1.38
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
-1
-2
1.34
6.63
10.6
0.508
2.5662
1.915075
1.97
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
-1
-2
1.34
6.63
10.6
0.508
1.4148
1.055821
0.96
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
-1
-2
1.34
6.63
10.6
0.508
2.5548
1.906567
1.96
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
-1
-2
1.34
6.63
10.6
0.508
1.5516
1.15791
1.08
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
-1
-2
1.34
6.63
10.6
0.508
2.589
1.93209
1.99
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
-1
-2
1.34
6.63
10.6
0.508
2.4408
1.821493
1.86
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
-1
-2
1.34
6.63
10.6
0.508
2.361
1.76194
1.79
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
-1
-2
1.34
6.63
10.6
0.508
2.703
2.017164
2.09
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
-1
-2
1.34
6.63
10.6
0.508
2.1786
1.625821
1.63
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
-1
-2
1.34
6.63
10.6
0.508
2.1786
1.625821
1.63
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
-1
-2
1.34
6.63
10.6
0.508
1.5744
1.174925
1.1
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
-1
-2
1.34
6.63
10.6
0.508
2.076
1.549254
1.54
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
-1
-2
1.34
6.63
10.6
0.508
2.4066
1.79597
1.83
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
-1
-2
1.34
6.63
10.6
0.508
2.5776
1.923582
1.98
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
-1
-2
1.34
6.63
10.6
0.508
2.0874
1.557761
1.55
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
-1
-2
1.34
6.63
10.6
0.508
2.4522
1.83
1.87
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
-1
-2
1.34
6.63
10.6
0.508
2.7372
2.042687
2.12
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
-1
-2
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
-1
-2
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
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
-1
-2
1.34
6.63
10.6
0.508
2.532
1.889552
1.94
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
-1
-2
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
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
-1
-2
1.34
6.63
10.6
0.508
2.4294
1.812985
1.85
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
-1
-2
1.34
6.63
10.6
0.508
2.0076
1.498209
1.48
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
-1
-2
1.34
6.63
10.6
0.508
2.4978
1.86403
1.91
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
-1
-2
1.34
6.63
10.6
0.508
2.4636
1.838507
1.88
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
-1
-2
1.34
6.63
10.6
0.508
1.8708
1.396119
1.36
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
-1
-2
1.34
6.63
10.6
0.508
2.5662
1.915075
1.97
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
-1
-2
1.34
6.63
10.6
0.508
1.9164
1.430149
1.4
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
-1
-2
1.34
6.63
10.6
0.508
2.4066
1.79597
1.83
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
-1
-2
1.34
6.63
10.6
0.508
2.4636
1.838507
1.88
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
-1
-2
1.34
6.63
10.6
0.508
2.4522
1.83
1.87
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
-1
-2
1.34
6.63
10.6
0.508
2.7144
2.025672
2.1
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
-1
-2
1.34
6.63
10.6
0.508
2.532
1.889552
1.94
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
-1
-2
1.34
6.63
10.6
0.508
2.3382
1.744925
1.77
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
-1
-2
1.34
6.63
10.6
0.508
2.247
1.676866
1.69
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
-1
-2
1.34
6.63
10.6
0.508
1.905
1.421642
1.39
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
-1
-2
1.34
6.63
10.6
0.508
2.589
1.93209
1.99
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
-1
-2
1.34
6.63
10.6
0.508
2.5776
1.923582
1.98
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
-1
-2
1.34
6.63
10.6
0.508
1.905
1.421642
1.39
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
-1
-2
1.34
6.63
10.6
0.508
2.3154
1.72791
1.75
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
-1
-2
1.34
6.63
10.6
0.508
2.361
1.76194
1.79
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
-1
-2
1.34
6.63
10.6
0.508
2.6118
1.949104
2.01
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
-1
-2
1.34
6.63
10.6
0.508
2.361
1.76194
1.79
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
-1
-2
1.34
6.63
10.6
0.508
2.5434
1.89806
1.95
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
-1
-2
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
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
-1
-2
1.34
6.63
10.6
0.508
2.1216
1.583284
1.58
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
-1
-2
1.34
6.63
10.6
0.508
2.4636
1.838507
1.88
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
-1
-2
1.34
6.63
10.6
0.508
2.4978
1.86403
1.91
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
-1
-2
1.34
6.63
10.6
0.508
2.5776
1.923582
1.98
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
-1
-2
1.34
6.63
10.6
0.508
2.0988
1.566269
1.56
null