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
Mn
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
3
2
1.34
6.63
10.6
0.508
-0.6486
-0.48403
-0.85
null
CdTe
Cd
Te
Cd
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
3
2
1.34
6.63
10.6
0.508
-0.5916
-0.441493
-0.8
null
CdTe
Cd
Te
Te
Te
5
M_Te
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
3
2
1.34
6.63
10.6
0.508
-0.5802
-0.432985
-0.79
null
CdTe
Cd
Te
O
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
3
2
1.34
6.63
10.6
0.508
-0.6144
-0.458507
-0.82
null
CdTe
Cd
Te
Cl
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
3
2
1.34
6.63
10.6
0.508
-0.5574
-0.41597
-0.77
null
CdTe
Cd
Te
Hg
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
3
2
1.34
6.63
10.6
0.508
-0.5916
-0.441493
-0.8
null
CdTe
Cd
Te
Na
Cd
3
M_Cd
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
3
2
1.34
6.63
10.6
0.508
-0.546
-0.407463
-0.76
null
CdTe
Cd
Te
N
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
3
2
1.34
6.63
10.6
0.508
-0.5574
-0.41597
-0.77
null
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
3
2
1.34
6.63
10.6
0.508
1.1184
0.834627
0.7
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
3
2
1.34
6.63
10.6
0.508
-0.5688
-0.424478
-0.78
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
3
2
1.34
6.63
10.6
0.508
-0.6828
-0.509552
-0.88
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
null
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
3
2
1.34
6.63
10.6
0.508
-0.5916
-0.441493
-0.8
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
3
2
1.34
6.63
10.6
0.508
-0.4662
-0.34791
-0.69
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
3
2
1.34
6.63
10.6
0.508
-0.4092
-0.305373
-0.64
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
3
2
1.34
6.63
10.6
0.508
-0.3636
-0.271343
-0.6
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
3
2
1.34
6.63
10.6
0.508
-0.4206
-0.313881
-0.65
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
3
2
1.34
6.63
10.6
0.508
-0.6942
-0.51806
-0.89
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
3
2
1.34
6.63
10.6
0.508
-0.6258
-0.467015
-0.83
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
3
2
1.34
6.63
10.6
0.508
-0.4548
-0.339403
-0.68
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
3
2
1.34
6.63
10.6
0.508
-0.489
-0.364925
-0.71
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
3
2
1.34
6.63
10.6
0.508
-0.3522
-0.262836
-0.59
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
3
2
1.34
6.63
10.6
0.508
-0.4662
-0.34791
-0.69
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
3
2
1.34
6.63
10.6
0.508
-0.6486
-0.48403
-0.85
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
3
2
1.34
6.63
10.6
0.508
-0.5118
-0.38194
-0.73
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
3
2
1.34
6.63
10.6
0.508
-0.4548
-0.339403
-0.68
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
3
2
1.34
6.63
10.6
0.508
-0.3066
-0.228806
-0.55
null
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
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
3
2
1.34
6.63
10.6
0.508
-0.5118
-0.38194
-0.73
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
3
2
1.34
6.63
10.6
0.508
-0.489
-0.364925
-0.71
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
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
3
2
1.34
6.63
10.6
0.508
-0.4092
-0.305373
-0.64
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
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
3
2
1.34
6.63
10.6
0.508
-0.489
-0.364925
-0.71
null
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
3
2
1.34
6.63
10.6
0.508
-0.6942
-0.51806
-0.89
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
3
2
1.34
6.63
10.6
0.508
-0.4662
-0.34791
-0.69
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
3
2
1.34
6.63
10.6
0.508
-0.1926
-0.143731
-0.45
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
3
2
1.34
6.63
10.6
0.508
-0.546
-0.407463
-0.76
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
3
2
1.34
6.63
10.6
0.508
-0.5346
-0.398955
-0.75
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
3
2
1.34
6.63
10.6
0.508
-0.6372
-0.475522
-0.84
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
3
2
1.34
6.63
10.6
0.508
-0.3864
-0.288358
-0.62
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
3
2
1.34
6.63
10.6
0.508
-0.3522
-0.262836
-0.59
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
3
2
1.34
6.63
10.6
0.508
-0.318
-0.237313
-0.56
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
3
2
1.34
6.63
10.6
0.508
-0.4092
-0.305373
-0.64
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
3
2
1.34
6.63
10.6
0.508
-0.5232
-0.390448
-0.74
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
3
2
1.34
6.63
10.6
0.508
-0.3636
-0.271343
-0.6
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
3
2
1.34
6.63
10.6
0.508
-0.2952
-0.220299
-0.54
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
3
2
1.34
6.63
10.6
0.508
-0.3636
-0.271343
-0.6
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
3
2
1.34
6.63
10.6
0.508
-0.3294
-0.245821
-0.57
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
3
2
1.34
6.63
10.6
0.508
0.2064
0.15403
-0.1
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
3
2
1.34
6.63
10.6
0.508
-0.66
-0.492537
-0.86
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
3
2
1.34
6.63
10.6
0.508
-0.546
-0.407463
-0.76
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
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
3
2
1.34
6.63
10.6
0.508
-0.2952
-0.220299
-0.54
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
3
2
1.34
6.63
10.6
0.508
0.4686
0.349701
0.13
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
3
2
1.34
6.63
10.6
0.508
-0.4206
-0.313881
-0.65
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
3
2
1.34
6.63
10.6
0.508
-0.4206
-0.313881
-0.65
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
3
2
1.34
6.63
10.6
0.508
-0.2838
-0.211791
-0.53
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
3
2
1.34
6.63
10.6
0.508
0.3432
0.256119
0.02
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
3
2
1.34
6.63
10.6
0.508
-0.4092
-0.305373
-0.64
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
3
2
1.34
6.63
10.6
0.508
-0.6828
-0.509552
-0.88
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
3
2
1.34
6.63
10.6
0.508
-0.1242
-0.092687
-0.39
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
3
2
1.34
6.63
10.6
0.508
-0.6714
-0.501045
-0.87
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
3
2
1.34
6.63
10.6
0.508
-0.5004
-0.373433
-0.72
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
3
2
1.34
6.63
10.6
0.508
-0.5688
-0.424478
-0.78
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
3
2
1.34
6.63
10.6
0.508
-0.4092
-0.305373
-0.64
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
3
2
1.34
6.63
10.6
0.508
-0.4776
-0.356418
-0.7
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
3
2
1.34
6.63
10.6
0.508
-0.1812
-0.135224
-0.44
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
3
2
1.34
6.63
10.6
0.508
-0.3978
-0.296866
-0.63
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
3
2
1.34
6.63
10.6
0.508
-0.5118
-0.38194
-0.73
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
3
2
1.34
6.63
10.6
0.508
-0.0558
-0.041642
-0.33
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
3
2
1.34
6.63
10.6
0.508
-0.2154
-0.160746
-0.47
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
3
2
1.34
6.63
10.6
0.508
-0.1356
-0.101194
-0.4
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
3
2
1.34
6.63
10.6
0.508
0.5484
0.409254
0.2
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
3
2
1.34
6.63
10.6
0.508
-0.4776
-0.356418
-0.7
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
3
2
1.34
6.63
10.6
0.508
-0.147
-0.109701
-0.41
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
3
2
1.34
6.63
10.6
0.508
-0.4548
-0.339403
-0.68
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
3
2
1.34
6.63
10.6
0.508
-0.603
-0.45
-0.81
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
3
2
1.34
6.63
10.6
0.508
0.1722
0.128507
-0.13
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
3
2
1.34
6.63
10.6
0.508
0.5028
0.375224
0.16
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
3
2
1.34
6.63
10.6
0.508
-0.2724
-0.203284
-0.52
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
3
2
1.34
6.63
10.6
0.508
-0.6258
-0.467015
-0.83
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
3
2
1.34
6.63
10.6
0.508
-0.4662
-0.34791
-0.69
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
3
2
1.34
6.63
10.6
0.508
0.0924
0.068955
-0.2
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
3
2
1.34
6.63
10.6
0.508
-0.3864
-0.288358
-0.62
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
3
2
1.34
6.63
10.6
0.508
-0.7626
-0.569104
-0.95
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
3
2
1.34
6.63
10.6
0.508
-0.318
-0.237313
-0.56
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
3
2
1.34
6.63
10.6
0.508
0.1608
0.12
-0.14
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
3
2
1.34
6.63
10.6
0.508
-0.603
-0.45
-0.81
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
3
2
1.34
6.63
10.6
0.508
-0.4776
-0.356418
-0.7
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
3
2
1.34
6.63
10.6
0.508
-0.5346
-0.398955
-0.75
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
3
2
1.34
6.63
10.6
0.508
0.8106
0.604925
0.43
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
3
2
1.34
6.63
10.6
0.508
-0.5574
-0.41597
-0.77
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
3
2
1.34
6.63
10.6
0.508
-0.5232
-0.390448
-0.74
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
3
2
1.34
6.63
10.6
0.508
-0.432
-0.322388
-0.66
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
3
2
1.34
6.63
10.6
0.508
-0.3636
-0.271343
-0.6
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
3
2
1.34
6.63
10.6
0.508
-0.3978
-0.296866
-0.63
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
3
2
1.34
6.63
10.6
0.508
0.3546
0.264627
0.03
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
3
2
1.34
6.63
10.6
0.508
-0.4434
-0.330896
-0.67
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
3
2
1.34
6.63
10.6
0.508
-0.2838
-0.211791
-0.53
null