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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.35
| 5.43
| 11.1
| 0.676643
| -1.118659
| -0.476025
| -1.28623
| -1.26481
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.889508
| -0.378514
| -1.08522
| -1.08901
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.742459
| -0.31594
| -0.95623
| -0.967737
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.87161
| -0.370898
| -1.06952
| -0.9291
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.519247
| -0.220956
| -0.76043
| -0.80242
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.462327
| -0.196735
| -0.7105
| -0.61259
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| -1.001194
| -0.42604
| -1.18319
| -0.57971
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.641068
| -0.272795
| -0.86729
| -0.29887
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| -0.043662
| -0.01858
| -0.34325
| -0.2411
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.378571
| 0.161094
| 0.02713
| 0.06992
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.122584
| 0.052163
| -0.19742
| 0.08858
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.517161
| 0.220069
| 0.1487
| 0.31109
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.451987
| 0.192335
| 0.09153
| 0.64078
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.928952
| 0.395299
| 0.50992
| 0.87025
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.35
| 5.43
| 11.1
| 0.676643
| 0.709878
| 0.302076
| 0.31775
| 1.042327
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 1.397423
| 0.594648
| 0.92086
| 1.13883
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.35
| 5.43
| 11.1
| 0.676643
| 1.087913
| 0.462942
| 0.64936
| 1.15552
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.35
| 5.43
| 11.1
| 0.676643
| 1.197137
| 0.50942
| 0.74517
| 1.36172
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.181789
| 0.928421
| 1.6089
| 2.52382
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.368031
| 1.007673
| 1.77227
| 2.65823
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.421668
| 1.030497
| 1.81932
| 2.67665
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.56964
| 1.093464
| 1.94912
| 2.84928
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.683412
| 1.141877
| 2.04892
| 2.88927
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.780665
| 1.183262
| 2.13423
| 2.99662
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.862358
| 1.218025
| 2.20589
| 3.12629
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.993651
| 1.273894
| 2.32106
| 3.21334
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 2.946376
| 1.253777
| 2.27959
| 3.21486
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.118151
| 1.326873
| 2.43027
| 3.28763
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.168117
| 1.348135
| 2.4741
| 3.3407
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.300813
| 1.404601
| 2.5905
| 3.50331
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.327614
| 1.416006
| 2.61401
| 3.5131
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.428037
| 1.458739
| 2.7021
| 3.5583
|
GaP
|
Ga
|
P
|
P
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.495411
| 1.487409
| 2.7612
| 3.6413
|
GaP
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.639165
| 1.548581
| 2.8873
| 3.7647
|
GaP
|
Ga
|
P
|
Ga
|
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
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.617049
| 1.53917
| 2.8679
| 3.7662
|
GaP
|
Ga
|
P
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.35
| 5.43
| 11.1
| 0.676643
| 3.771861
| 1.605047
| 3.0037
| 3.8197
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.428897
| -1.742558
| -1.58633
| -1.58242
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.460783
| -1.781443
| -1.6143
| -1.47124
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.225134
| -1.494065
| -1.40759
| -1.3983
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.237012
| -1.508552
| -1.41801
| -1.3492
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.160701
| -1.415489
| -1.35107
| -1.34884
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -1.145208
| -1.396595
| -1.33748
| -1.29514
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.915966
| -1.117031
| -1.13639
| -1.11129
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.840919
| -1.025511
| -1.07056
| -1.04505
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.628834
| -0.76687
| -0.88452
| -0.9023
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.602067
| -0.734228
| -0.86104
| -0.85035
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.580486
| -0.70791
| -0.84211
| -0.69823
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.315744
| -0.385054
| -0.60988
| -0.65125
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.326768
| -0.398498
| -0.61955
| -0.60489
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.229284
| -0.279615
| -0.534038
| -0.529212
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.25639
| -0.312671
| -0.557815
| -0.46743
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.085174
| 0.103871
| -0.258197
| -0.28641
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.20819
| 0.25389
| -0.150289
| -0.09759
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 0.82
| 6.07
| 15.69
| 0.494319
| -0.048061
| -0.058611
| -0.37507
| -0.06053
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.52566
| 0.641049
| 0.128194
| 0.15113
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.035387
| 0.043155
| -0.30187
| 0.23253
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.309569
| 0.377523
| -0.06136
| 0.30732
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.428961
| 0.523123
| 0.04337
| 0.541
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.71169
| 0.867915
| 0.291378
| 1.026622
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.999542
| 1.218954
| 0.54388
| 1.201
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 0.82
| 6.07
| 15.69
| 0.494319
| 0.985475
| 1.201798
| 0.53154
| 1.21414
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.02292
| 1.247464
| 0.564387
| 1.2798
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.097195
| 1.338042
| 0.62954
| 1.37488
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.30993
| 1.597476
| 0.81615
| 1.46531
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.29845
| 1.583476
| 0.80608
| 1.47378
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.382867
| 1.686423
| 0.88013
| 1.61874
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.663501
| 2.02866
| 1.1263
| 1.80656
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.753709
| 2.13867
| 1.20543
| 1.88132
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.775175
| 2.164848
| 1.22426
| 1.88833
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 1.902821
| 2.320514
| 1.33623
| 2.00668
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.030182
| 2.475832
| 1.44795
| 2.09178
|
GaSb
|
Ga
|
Sb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.025189
| 2.469742
| 1.44357
| 2.13205
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.061384
| 2.513883
| 1.47532
| 2.138
|
GaSb
|
Ga
|
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
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.11314
| 2.577
| 1.52072
| 2.1909
|
GaSb
|
Ga
|
Sb
|
Sb
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.280275
| 2.780823
| 1.66733
| 2.32294
|
GaSb
|
Ga
|
Sb
|
Bi
|
Ga
|
3
|
M_Ga
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 0.82
| 6.07
| 15.69
| 0.494319
| 2.320859
| 2.830316
| 1.70293
| 2.34157
|
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
| 5
| 4
| 0.42
| 6.06
| 15.15
| 0.507247
| -1.040165
| -2.476583
| -1.3058
| -1.27279
|
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
| 5
| 4
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.932253
| -2.219649
| -1.21114
| -1.18877
|
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
| 5
| 4
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.909202
| -2.164766
| -1.19092
| -1.08234
|
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
| 3
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.675707
| -1.608826
| -0.9861
| -0.93587
|
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
| 5
| 4
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.748291
| -1.781645
| -1.04977
| -0.88767
|
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
| 3
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.653454
| -1.555843
| -0.96658
| -0.88753
|
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
| 3
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.565298
| -1.345948
| -0.88925
| -0.84439
|
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
| 2
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.352403
| -0.839055
| -0.7025
| -0.68134
|
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
| 2
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.341964
| -0.8142
| -0.693343
| -0.626308
|
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
| 2
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.255594
| -0.608558
| -0.61758
| -0.59983
|
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
| 3
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.545758
| -1.299425
| -0.87211
| -0.3417
|
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
| 1
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.075657
| 0.180135
| -0.327009
| -0.252942
|
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
| 2
| 0.42
| 6.06
| 15.15
| 0.507247
| -0.318636
| -0.758658
| -0.67288
| -0.11966
|
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
| 0
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.407771
| 0.970883
| -0.035681
| -0.004242
|
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
| 1
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.222488
| 0.529732
| -0.19821
| 0.10576
|
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
| 1
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.084399
| 0.200951
| -0.31934
| 0.12484
|
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
| 1
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.029611
| 0.070502
| -0.3674
| 0.21352
|
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
| 1
| 0
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.534038
| 1.27152
| 0.07508
| 0.29852
|
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
| 0
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.445871
| 1.061597
| -0.00226
| 0.49463
|
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
| 0
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.559529
| 1.332211
| 0.09744
| 0.51891
|
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
| 0
| -1
| 0.42
| 6.06
| 15.15
| 0.507247
| 0.854435
| 2.03437
| 0.35613
| 0.63381
|
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
| -1
| -2
| 0.42
| 6.06
| 15.15
| 0.507247
| 1.20152
| 2.860761
| 0.66059
| 0.84796
|
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
| 0
| -1
| 0.42
| 6.06
| 15.15
| 0.507247
| 1.41283
| 3.363881
| 0.84595
| 1.66053
|
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
| 0
| -1
| 0.42
| 6.06
| 15.15
| 0.507247
| 1.496996
| 3.564277
| 0.91978
| 1.721
|
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