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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 2.52
| 5.44
| 9.8
| 0.65834
| -1.53506
| -0.609151
| -1.61456
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.52
| 5.44
| 9.8
| 0.65834
| -1.16412
| -0.461952
| -1.28918
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.75936
| -0.301333
| -0.93412
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.9069
| 0.359881
| 0.52751
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.52
| 5.44
| 9.8
| 0.65834
| 1.4365
| 0.57004
| 0.99207
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.37522
| 0.942548
| 1.81551
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.77845
| 1.10256
| 2.16922
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.14925
| 1.249702
| 2.49447
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.5145
| 1.394643
| 2.81492
| null |
AlP
|
Al
|
P
|
P
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.8792
| 1.539365
| 3.1348
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 2.52
| 5.44
| 9.8
| 0.65834
| -1.32112
| -0.524254
| -1.42689
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.9519
| -0.377738
| -1.10302
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.55196
| -0.219032
| -0.75219
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.65013
| 0.257988
| 0.30227
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.52
| 5.44
| 9.8
| 0.65834
| 1.32151
| 0.524409
| 0.8912
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.58194
| 1.024579
| 1.99684
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.97264
| 1.179619
| 2.33956
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.34574
| 1.327675
| 2.66683
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.6862
| 1.462778
| 2.96549
| null |
AlP
|
Al
|
P
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.52
| 5.44
| 9.8
| 0.65834
| 4.0492
| 1.606825
| 3.2839
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| -1.21468
| -0.482016
| -1.33353
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.69726
| -0.27669
| -0.87965
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.27299
| -0.108329
| -0.50748
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.17128
| 0.067968
| -0.11777
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.63971
| 0.253853
| 0.29313
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.52953
| 1.003782
| 1.95087
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.86056
| 1.135143
| 2.24124
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.27055
| 1.297837
| 2.60091
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.6998
| 1.468175
| 2.97742
| null |
AlP
|
Al
|
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
| 2.52
| 5.44
| 9.8
| 0.65834
| 4.1014
| 1.62754
| 3.3297
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -1.25288
| -0.559321
| -1.37074
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.72935
| -0.325603
| -0.91151
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.35063
| -0.156531
| -0.57929
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.2549
| 0.113795
| -0.04813
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.6801
| 0.303616
| 0.32486
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 1.13345
| 0.506004
| 0.72253
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 1.67397
| 0.747308
| 1.19667
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.95263
| 1.318138
| 2.31831
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.3228
| 1.483393
| 2.64304
| null |
AlAs
|
Al
|
As
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.6411
| 1.625491
| 2.9222
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 2.24
| 5.64
| 10.06
| 0.623364
| -1.47278
| -0.657491
| -1.56363
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.24
| 5.64
| 10.06
| 0.623364
| -1.06231
| -0.474246
| -1.20358
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.64831
| -0.289424
| -0.84041
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.2882
| 0.128661
| -0.01892
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.89709
| 0.400487
| 0.5152
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.22759
| 0.99446
| 1.6823
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.59988
| 1.160661
| 2.00888
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.95054
| 1.317205
| 2.31646
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.2794
| 1.464018
| 2.60497
| null |
AlAs
|
Al
|
As
|
As
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.6129
| 1.612902
| 2.8975
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 2.24
| 5.64
| 10.06
| 0.623364
| -1.36799
| -0.61071
| -1.47171
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.94923
| -0.423763
| -1.10438
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.53618
| -0.239366
| -0.74206
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.36614
| 0.163455
| 0.04945
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.24
| 5.64
| 10.06
| 0.623364
| 1.00971
| 0.450763
| 0.61399
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.32413
| 1.037558
| 1.76699
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.69552
| 1.203357
| 2.09277
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.04746
| 1.360473
| 2.40152
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.3739
| 1.506205
| 2.68783
| null |
AlAs
|
Al
|
As
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.7075
| 1.655134
| 2.9804
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -1.31169
| -0.585576
| -1.42233
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.9317
| -0.415938
| -1.089
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.53513
| -0.238897
| -0.74114
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| -0.06738
| -0.03008
| -0.33083
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 0.35528
| 0.158607
| 0.03993
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.2865
| 1.020759
| 1.73398
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.61263
| 1.166353
| 2.02006
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 2.96607
| 1.324138
| 2.33009
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.33454
| 1.488634
| 2.65327
| null |
AlAs
|
Al
|
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
| 2.24
| 5.64
| 10.06
| 0.623364
| 3.7295
| 1.664955
| 2.99984
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| -1.53292
| -0.901718
| -1.49933
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| -1.25606
| -0.738859
| -1.25647
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.93525
| -0.550147
| -0.97506
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.4731
| -0.278294
| -0.56967
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.08029
| -0.047229
| -0.22509
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| 0.28686
| 0.168741
| 0.09697
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| 0.66211
| 0.389476
| 0.42613
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| 1.96423
| 1.155429
| 1.56835
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.2631
| 1.331235
| 1.83051
| null |
AlSb
|
Al
|
Sb
|
Al
|
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
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.48952
| 1.464424
| 2.02912
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 1.7
| 6.12
| 12.04
| 0.413757
| -1.46689
| -0.862876
| -1.44141
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.92475
| -0.543971
| -0.96585
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.56081
| -0.329888
| -0.6466
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 1.7
| 6.12
| 12.04
| 0.413757
| 0.0782
| 0.046
| -0.08607
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 1.7
| 6.12
| 12.04
| 0.413757
| 0.58358
| 0.343282
| 0.35725
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 1.7
| 6.12
| 12.04
| 0.413757
| 1.55476
| 0.914565
| 1.20916
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 1.7
| 6.12
| 12.04
| 0.413757
| 1.85895
| 1.0935
| 1.47599
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.12658
| 1.250929
| 1.71076
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.40005
| 1.411794
| 1.95065
| null |
AlSb
|
Al
|
Sb
|
Sb
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.6658
| 1.568118
| 2.18378
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 1.7
| 6.12
| 12.04
| 0.413757
| -1.43192
| -0.842306
| -1.41074
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.86463
| -0.508606
| -0.91311
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.51256
| -0.301506
| -0.60428
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 1.7
| 6.12
| 12.04
| 0.413757
| -0.13166
| -0.077447
| -0.27015
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 1.7
| 6.12
| 12.04
| 0.413757
| 0.39407
| 0.231806
| 0.19101
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 1.7
| 6.12
| 12.04
| 0.413757
| 1.58777
| 0.933982
| 1.23812
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 1.7
| 6.12
| 12.04
| 0.413757
| 1.892
| 1.112941
| 1.50498
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.16891
| 1.275829
| 1.74789
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.43087
| 1.429924
| 1.97768
| null |
AlSb
|
Al
|
Sb
|
Bi
|
Al
|
3
|
M_Al
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 1.7
| 6.12
| 12.04
| 0.413757
| 2.7358
| 1.609294
| 2.24518
| null |
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