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
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
1
0
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
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
1
0
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
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
1
0
1.34
6.63
10.6
0.508
1.563
1.166418
1.09
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
1
0
1.34
6.63
10.6
0.508
1.62
1.208955
1.14
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
1
0
1.34
6.63
10.6
0.508
1.6314
1.217463
1.15
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
1
0
1.34
6.63
10.6
0.508
1.6314
1.217463
1.15
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
1
0
1.34
6.63
10.6
0.508
1.6314
1.217463
1.15
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
1
0
1.34
6.63
10.6
0.508
1.6428
1.22597
1.16
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
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
1
0
1.34
6.63
10.6
0.508
1.6542
1.234478
1.17
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
1
0
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
1
0
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
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
1
0
1.34
6.63
10.6
0.508
1.6656
1.242985
1.18
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
1
0
1.34
6.63
10.6
0.508
1.677
1.251493
1.19
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
1
0
1.34
6.63
10.6
0.508
1.6884
1.26
1.2
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
1
0
1.34
6.63
10.6
0.508
1.7112
1.277015
1.22
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
1
0
1.34
6.63
10.6
0.508
1.7112
1.277015
1.22
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
1
0
1.34
6.63
10.6
0.508
1.7112
1.277015
1.22
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
1
0
1.34
6.63
10.6
0.508
1.7226
1.285522
1.23
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
1
0
1.34
6.63
10.6
0.508
1.7226
1.285522
1.23
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
1
0
1.34
6.63
10.6
0.508
1.734
1.29403
1.24
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
1
0
1.34
6.63
10.6
0.508
1.7454
1.302537
1.25
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
1
0
1.34
6.63
10.6
0.508
1.7454
1.302537
1.25
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
1
0
1.34
6.63
10.6
0.508
1.7568
1.311045
1.26
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
1
0
1.34
6.63
10.6
0.508
1.7568
1.311045
1.26
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
1
0
1.34
6.63
10.6
0.508
1.7568
1.311045
1.26
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
1
0
1.34
6.63
10.6
0.508
1.7568
1.311045
1.26
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
1
0
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
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
1
0
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
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
1
0
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
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
1
0
1.34
6.63
10.6
0.508
1.7682
1.319552
1.27
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
1
0
1.34
6.63
10.6
0.508
1.7796
1.32806
1.28
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
1
0
1.34
6.63
10.6
0.508
1.7796
1.32806
1.28
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
1
0
1.34
6.63
10.6
0.508
1.7796
1.32806
1.28
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
1
0
1.34
6.63
10.6
0.508
1.7796
1.32806
1.28
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
1
0
1.34
6.63
10.6
0.508
1.791
1.336567
1.29
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
1
0
1.34
6.63
10.6
0.508
1.791
1.336567
1.29
null
CdTe
Cd
Te
Sb
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
1.791
1.336567
1.29
null
CdTe
Cd
Te
Na
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
1.791
1.336567
1.29
null
CdTe
Cd
Te
Sr
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
Ta
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
La
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
Ga
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
Ag
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
V
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
1.8024
1.345075
1.3
null
CdTe
Cd
Te
Y
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
1.8138
1.353582
1.31
null
CdTe
Cd
Te
Ti
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
1.8138
1.353582
1.31
null
CdTe
Cd
Te
Al
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
1.8138
1.353582
1.31
null
CdTe
Cd
Te
Ge
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
1.8252
1.36209
1.32
null
CdTe
Cd
Te
Mn
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
1.8252
1.36209
1.32
null
CdTe
Cd
Te
Re
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
1.8366
1.370597
1.33
null
CdTe
Cd
Te
Al
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
null
CdTe
Cd
Te
Ga
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
1.848
1.379104
1.34
null
CdTe
Cd
Te
Zr
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
1.848
1.379104
1.34
null
CdTe
Cd
Te
Bi
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
null
CdTe
Cd
Te
Hf
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
null
CdTe
Cd
Te
Mg
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
null
CdTe
Cd
Te
Ti
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
1.8594
1.387612
1.35
null
CdTe
Cd
Te
Ti
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
1.8594
1.387612
1.35
null
CdTe
Cd
Te
In
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
1.8708
1.396119
1.36
null
CdTe
Cd
Te
Hf
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
1.8708
1.396119
1.36
null
CdTe
Cd
Te
Zr
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
1.8708
1.396119
1.36
null
CdTe
Cd
Te
Si
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
1.8708
1.396119
1.36
null
CdTe
Cd
Te
K
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
1.8936
1.413134
1.38
null
CdTe
Cd
Te
K
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
1.8936
1.413134
1.38
null
CdTe
Cd
Te
In
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
1.8936
1.413134
1.38
null
CdTe
Cd
Te
Rb
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
1.8936
1.413134
1.38
null
CdTe
Cd
Te
Ge
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
1.905
1.421642
1.39
null
CdTe
Cd
Te
Tl
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
1.905
1.421642
1.39
null
CdTe
Cd
Te
Ta
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
1.905
1.421642
1.39
null
CdTe
Cd
Te
Tl
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
1.905
1.421642
1.39
null
CdTe
Cd
Te
Pb
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
1.9164
1.430149
1.4
null
CdTe
Cd
Te
Tl
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
1.9164
1.430149
1.4
null
CdTe
Cd
Te
In
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
1.9164
1.430149
1.4
null
CdTe
Cd
Te
Ta
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
null
CdTe
Cd
Te
Rb
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Cs
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Ba
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Nb
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Fe
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
1.9392
1.447164
1.42
null
CdTe
Cd
Te
Mn
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
1.9506
1.455672
1.43
null
CdTe
Cd
Te
Sn
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
1.962
1.464179
1.44
null
CdTe
Cd
Te
Cs
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
1.962
1.464179
1.44
null
CdTe
Cd
Te
Sc
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
1.9734
1.472687
1.45
null
CdTe
Cd
Te
Cs
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
1.9734
1.472687
1.45
null
CdTe
Cd
Te
Pb
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
1.9848
1.481194
1.46
null
CdTe
Cd
Te
Mg
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
1.9962
1.489701
1.47
null
CdTe
Cd
Te
Mg
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
1.9962
1.489701
1.47
null
CdTe
Cd
Te
K
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
2.019
1.506716
1.49
null
CdTe
Cd
Te
Y
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
2.019
1.506716
1.49
null
CdTe
Cd
Te
Sn
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
2.019
1.506716
1.49
null
CdTe
Cd
Te
Ca
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
2.0304
1.515224
1.5
null
CdTe
Cd
Te
La
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
2.0304
1.515224
1.5
null
CdTe
Cd
Te
Hf
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
2.0418
1.523731
1.51
null
CdTe
Cd
Te
Ba
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
2.0646
1.540746
1.53
null
CdTe
Cd
Te
Ca
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
2.076
1.549254
1.54
null
CdTe
Cd
Te
Y
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
2.0874
1.557761
1.55
null
CdTe
Cd
Te
Sr
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
2.0874
1.557761
1.55
null