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
InAs
In
As
Bi
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
0.42
6.06
15.15
0.507247
1.485303
3.536436
0.909523
1.735592
InAs
In
As
As
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
0.42
6.06
15.15
0.507247
1.727766
4.11373
1.12221
1.88917
InAs
In
As
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
0.42
6.06
15.15
0.507247
1.801695
4.289751
1.18706
1.95661
InAs
In
As
Bi
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-1
-2
0.42
6.06
15.15
0.507247
1.775874
4.228272
1.16441
1.95889
InAs
In
As
In
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
0.42
6.06
15.15
0.507247
1.894355
4.510368
1.26834
2.10496
InAs
In
As
As
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
0.42
6.06
15.15
0.507247
2.008252
4.781552
1.36825
2.1213
InAs
In
As
Bi
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-2
-3
0.42
6.06
15.15
0.507247
2.020518
4.810758
1.37901
2.15421
InAs
In
As
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
0.42
6.06
15.15
0.507247
2.100341
5.000812
1.44903
2.2151
InAs
In
As
In
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-3
-4
0.42
6.06
15.15
0.507247
2.157569
5.13707
1.49923
2.31858
InAs
In
As
Bi
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-3
-4
0.42
6.06
15.15
0.507247
2.307035
5.49294
1.63034
2.37219
InAs
In
As
As
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
0.42
6.06
15.15
0.507247
2.34657
5.587071
1.66502
2.39159
InAs
In
As
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
0.42
6.06
15.15
0.507247
2.416429
5.753402
1.7263
2.45981
InAs
In
As
In
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-4
-5
0.42
6.06
15.15
0.507247
2.440939
5.81176
1.7478
2.54883
InAs
In
As
As
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
0.42
6.06
15.15
0.507247
2.882313
6.86265
2.13497
2.8912
InAs
In
As
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
0.42
6.06
15.15
0.507247
3.020515
7.191702
2.2562
2.92096
InAs
In
As
Bi
As
5
M_As
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
-4
-5
0.42
6.06
15.15
0.507247
3.037421
7.231955
2.27103
2.99468
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
5
4
1.42
5.88
12.61
0.52656
-1.299727
-0.915301
-1.42762
-1.39396
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
5
4
1.42
5.88
12.61
0.52656
-1.090924
-0.768257
-1.24446
-1.22257
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
4
3
1.42
5.88
12.61
0.52656
-0.989875
-0.697095
-1.15582
-1.14571
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
5
4
1.42
5.88
12.61
0.52656
-1.038006
-0.73099
-1.19804
-1.12226
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
5
4
1.42
5.88
12.61
0.52656
-0.884915
-0.62318
-1.06375
-1.03506
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
4
3
1.42
5.88
12.61
0.52656
-0.78488
-0.552732
-0.976
-0.98939
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
3
2
1.42
5.88
12.61
0.52656
-0.655353
-0.461516
-0.86238
-0.871959
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
4
3
1.42
5.88
12.61
0.52656
-0.647065
-0.45568
-0.85511
-0.71244
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
3
2
1.42
5.88
12.61
0.52656
-0.451966
-0.318286
-0.68397
-0.709854
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
3
2
1.42
5.88
12.61
0.52656
-0.303018
-0.213393
-0.553314
-0.479961
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
2
1
1.42
5.88
12.61
0.52656
0.060123
0.04234
-0.234769
-0.141471
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
4
3
1.42
5.88
12.61
0.52656
-0.441352
-0.310812
-0.67466
-0.11723
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
3
2
1.42
5.88
12.61
0.52656
-0.168243
-0.118481
-0.43509
0.12035
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1.42
5.88
12.61
0.52656
0.422467
0.297512
0.083076
0.120387
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
2
1
1.42
5.88
12.61
0.52656
0.161981
0.114071
-0.14542
0.308974
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
2
1
1.42
5.88
12.61
0.52656
0.374876
0.263997
0.04133
0.38023
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1.42
5.88
12.61
0.52656
0.726281
0.511466
0.34958
0.58318
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
1.42
5.88
12.61
0.52656
0.735276
0.5178
0.35747
0.7692
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
2
1
1.42
5.88
12.61
0.52656
0.49257
0.34688
0.14457
0.828289
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
1.42
5.88
12.61
0.52656
1.086145
0.764891
0.66525
1.0162
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
1.42
5.88
12.61
0.52656
0.879577
0.61942
0.48405
1.02521
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-1
-2
1.42
5.88
12.61
0.52656
1.502519
1.058112
1.03049
1.27182
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
-1
1.42
5.88
12.61
0.52656
1.912702
1.346973
1.3903
2.24456
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
-1
1.42
5.88
12.61
0.52656
2.093973
1.474629
1.54931
2.40387
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
1.42
5.88
12.61
0.52656
2.113441
1.488339
1.566387
2.428835
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
1.42
5.88
12.61
0.52656
2.251898
1.585843
1.68784
2.53038
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-1
-2
1.42
5.88
12.61
0.52656
2.42927
1.710754
1.84343
2.66969
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
1.42
5.88
12.61
0.52656
2.427161
1.709268
1.84158
2.6935
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
1.42
5.88
12.61
0.52656
2.568624
1.80889
1.96567
2.77611
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-2
-3
1.42
5.88
12.61
0.52656
2.57356
1.812366
1.97
2.8759
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-2
-3
1.42
5.88
12.61
0.52656
2.713415
1.910856
2.09268
2.8992
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
1.42
5.88
12.61
0.52656
2.746122
1.933889
2.12137
2.91355
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
1.42
5.88
12.61
0.52656
2.882876
2.030195
2.24133
3.0545
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-3
-4
1.42
5.88
12.61
0.52656
2.910795
2.049855
2.26582
3.06378
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-3
-4
1.42
5.88
12.61
0.52656
3.014672
2.123008
2.35694
3.13944
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
1.42
5.88
12.61
0.52656
3.062415
2.15663
2.39882
3.20696
InP
In
P
In
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-4
-5
1.42
5.88
12.61
0.52656
3.175514
2.236278
2.49803
3.3114
InP
In
P
P
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
1.42
5.88
12.61
0.52656
3.197596
2.251828
2.5174
3.3476
InP
In
P
Bi
P
5
M_P
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
-4
-5
1.42
5.88
12.61
0.52656
3.367935
2.371785
2.66682
3.3968
InP
In
P
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
1.42
5.88
12.61
0.52656
3.44631
2.426979
2.73557
3.5068
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
5
4
0.24
6.47
17.7
0.432896
-1.102962
-4.595674
-1.31777
-1.48409
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
5
4
0.24
6.47
17.7
0.432896
-1.180516
-4.918817
-1.3858
-1.34569
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
5
4
0.24
6.47
17.7
0.432896
-1.144743
-4.769762
-1.35442
-1.33998
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
5
4
0.24
6.47
17.7
0.432896
-1.091904
-4.549599
-1.30807
-1.29652
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
4
3
0.24
6.47
17.7
0.432896
-0.981255
-4.088564
-1.21101
-1.15789
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
3
2
0.24
6.47
17.7
0.432896
-0.724329
-3.018038
-0.985636
-0.966612
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
4
3
0.24
6.47
17.7
0.432896
-0.529257
-2.205237
-0.81452
-0.81789
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
4
3
0.24
6.47
17.7
0.432896
-0.863778
-3.599077
-1.10796
-0.79971
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
4
3
0.24
6.47
17.7
0.432896
-0.614198
-2.559159
-0.88903
-0.77794
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
3
2
0.24
6.47
17.7
0.432896
-0.627947
-2.616444
-0.90109
-0.74002
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
3
2
0.24
6.47
17.7
0.432896
-0.284567
-1.185697
-0.59988
-0.59992
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
3
2
0.24
6.47
17.7
0.432896
-0.299672
-1.248634
-0.61313
-0.55802
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
2
1
0.24
6.47
17.7
0.432896
-0.096772
-0.403215
-0.435147
-0.43304
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
2
1
0.24
6.47
17.7
0.432896
-0.319007
-1.329194
-0.63009
-0.43225
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
2
1
0.24
6.47
17.7
0.432896
-0.047345
-0.197269
-0.39179
-0.233
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0.24
6.47
17.7
0.432896
-0.022242
-0.092674
-0.36977
-0.22327
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0.24
6.47
17.7
0.432896
0.192391
0.801627
-0.181496
-0.211045
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
2
1
0.24
6.47
17.7
0.432896
-0.021284
-0.088684
-0.36893
0.05544
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
-1
0.24
6.47
17.7
0.432896
0.368972
1.537383
-0.0266
0.06043
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0.24
6.47
17.7
0.432896
0.231488
0.964533
-0.1472
0.11153
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-1
-2
0.24
6.47
17.7
0.432896
0.666227
2.775946
0.23415
0.29401
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0.24
6.47
17.7
0.432896
0.32148
1.339498
-0.06826
0.34006
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
-1
0.24
6.47
17.7
0.432896
0.775341
3.230587
0.329864
0.997837
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
-1
0.24
6.47
17.7
0.432896
0.965397
4.022488
0.49658
1.11383
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
-1
0.24
6.47
17.7
0.432896
0.967073
4.029471
0.49805
1.12751
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-1
-2
0.24
6.47
17.7
0.432896
1.056637
4.402655
0.576615
1.22697
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-2
-3
0.24
6.47
17.7
0.432896
1.114965
4.645688
0.62778
1.30608
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
0.24
6.47
17.7
0.432896
1.261193
5.254971
0.75605
1.3518
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-1
-2
0.24
6.47
17.7
0.432896
1.257499
5.239581
0.75281
1.3592
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-2
-3
0.24
6.47
17.7
0.432896
1.474498
6.143743
0.94316
1.52108
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-3
-4
0.24
6.47
17.7
0.432896
1.382398
5.759991
0.86237
1.52471
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
0.24
6.47
17.7
0.432896
1.561594
6.506643
1.01956
1.60292
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-2
-3
0.24
6.47
17.7
0.432896
1.589821
6.624253
1.04432
1.6225
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-3
-4
0.24
6.47
17.7
0.432896
1.757082
7.321173
1.19104
1.74343
InSb
In
Sb
In
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-4
-5
0.24
6.47
17.7
0.432896
1.82286
7.595248
1.24874
1.84408
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
0.24
6.47
17.7
0.432896
1.867776
7.782398
1.28814
1.84638
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-3
-4
0.24
6.47
17.7
0.432896
1.870694
7.794558
1.2907
1.8569
InSb
In
Sb
Sb
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
0.24
6.47
17.7
0.432896
2.20989
9.207873
1.58824
2.20388
InSb
In
Sb
Bi
In
3
M_In
1
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
-4
-5
0.24
6.47
17.7
0.432896
2.256367
9.401531
1.62901
2.20523
InSb
In
Sb
Bi
Sb
5
M_Sb
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
-4
-5
0.24
6.47
17.7
0.432896
2.218873
9.245303
1.59612
2.23446
CdS
Cd
S
Se
S
5
M_S
1
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
3
2
2.05
5.94
8.9
0.6515
-0.5133
-0.25039
-0.77
null
CdS
Cd
S
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
2.05
5.94
8.9
0.6515
-0.6273
-0.306
-0.87
null
CdS
Cd
S
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
2.05
5.94
8.9
0.6515
-0.2739
-0.13361
-0.56
null
CdS
Cd
S
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
2.05
5.94
8.9
0.6515
-0.1257
-0.061317
-0.43
null