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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CdS | Cd | S | S | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | 0.2961 | 0.144439 | -0.06 | null |
CdS | Cd | S | 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 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.3765 | -0.183659 | -0.65 | null |
CdS | Cd | S | 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 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.5475 | -0.267073 | -0.8 | null |
CdS | Cd | S | 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 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.5133 | -0.25039 | -0.77 | null |
CdS | Cd | S | Rh | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.1143 | -0.055756 | -0.42 | null |
CdS | Cd | S | Te | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | 0.8319 | 0.405805 | 0.41 | null |
CdS | Cd | S | Ir | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | 0.3189 | 0.155561 | -0.04 | null |
CdS | Cd | S | 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 | 2.05 | 5.94 | 8.9 | 0.6515 | 0.0339 | 0.016537 | -0.29 | null |
CdS | Cd | S | Be | 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 | -0.4335 | -0.211463 | -0.7 | null |
CdS | Cd | S | In | 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 | -0.5589 | -0.272634 | -0.81 | null |
CdS | Cd | S | Cd | 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 | -0.3309 | -0.161415 | -0.61 | null |
CdS | Cd | S | Zn | 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 | -0.3423 | -0.166976 | -0.62 | null |
CdS | Cd | S | 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 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.5133 | -0.25039 | -0.77 | null |
CdS | Cd | S | Br | 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 | -0.4563 | -0.222585 | -0.72 | null |
CdS | Cd | S | Cd | 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 | -0.3537 | -0.172537 | -0.63 | null |
CdS | Cd | S | As | 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 | -0.2055 | -0.100244 | -0.5 | null |
CdS | Cd | S | I | 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 | -0.3765 | -0.183659 | -0.65 | null |
CdS | Cd | S | Cd | 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 | -0.3423 | -0.166976 | -0.62 | null |
CdS | Cd | S | Cd | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.3423 | -0.166976 | -0.62 | null |
CdS | Cd | S | Zr | 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 | -0.5589 | -0.272634 | -0.81 | null |
CdS | Cd | S | Rb | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.2739 | -0.13361 | -0.56 | null |
CdS | Cd | S | 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 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | -0.2625 | -0.128049 | -0.55 | null |
CdS | Cd | S | Ga | 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 | -0.1713 | -0.083561 | -0.47 | null |
CdS | Cd | S | Mo | 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 | 1.4361 | 0.700537 | 0.94 | null |
CdS | Cd | S | 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 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | 1.2195 | 0.594878 | 0.75 | null |
CdS | Cd | S | Ti | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 2 | 2.05 | 5.94 | 8.9 | 0.6515 | 1.5501 | 0.756146 | 1.04 | null |
CdS | Cd | S | Al | 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 | 1.0713 | 0.522585 | 0.62 | null |
CdS | Cd | S | Na | 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 | 1.4703 | 0.71722 | 0.97 | null |
CdS | Cd | S | Sn | 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 | -0.2055 | -0.100244 | -0.5 | null |
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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2291 | 2.062976 | 3.39 | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.4995 | 1.707073 | 2.75 | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.4539 | 1.684829 | 2.71 | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2177 | 2.057415 | 3.38 | null |
CdS | Cd | S | S | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.4311 | 1.673707 | 2.69 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.4995 | 1.707073 | 2.75 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.7161 | 1.812732 | 2.94 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.7389 | 1.823854 | 2.96 | null |
CdS | Cd | S | Rh | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.6021 | 1.757122 | 2.84 | null |
CdS | Cd | S | Te | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.6363 | 1.773805 | 2.87 | null |
CdS | Cd | S | Ir | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.6021 | 1.757122 | 2.84 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.9327 | 1.91839 | 3.13 | null |
CdS | Cd | S | Be | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2063 | 2.051854 | 3.37 | null |
CdS | Cd | S | In | Cd | 3 | M_Cd | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.8301 | 1.868341 | 3.04 | null |
CdS | Cd | S | Cd | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.3659 | 2.129707 | 3.51 | null |
CdS | Cd | S | Zn | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.5679 | 1.740439 | 2.81 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2063 | 2.051854 | 3.37 | null |
CdS | Cd | S | Br | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2747 | 2.08522 | 3.43 | null |
CdS | Cd | S | Cd | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.3773 | 2.135268 | 3.52 | null |
CdS | Cd | S | As | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.5907 | 1.751561 | 2.83 | null |
CdS | Cd | S | I | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.3545 | 2.124146 | 3.5 | null |
CdS | Cd | S | Cd | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.7275 | 1.818293 | 2.95 | null |
CdS | Cd | S | Cd | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.4229 | 2.157512 | 3.56 | null |
CdS | Cd | S | Zr | Cd | 3 | M_Cd | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.1607 | 2.02961 | 3.33 | null |
CdS | Cd | S | Rb | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.4685 | 2.179756 | 3.6 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.3317 | 2.113024 | 3.48 | null |
CdS | Cd | S | Ga | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2405 | 2.068537 | 3.4 | null |
CdS | Cd | S | Mo | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.1265 | 2.012927 | 3.3 | null |
CdS | Cd | S | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.9099 | 1.907268 | 3.11 | null |
CdS | Cd | S | Ti | 0 | int_5 | M_i_S_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2519 | 2.074098 | 3.41 | null |
CdS | Cd | S | Al | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.2405 | 2.068537 | 3.4 | null |
CdS | Cd | S | Na | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 3.9783 | 1.940634 | 3.17 | null |
CdS | Cd | S | Sn | 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 | -2 | -3 | 2.05 | 5.94 | 8.9 | 0.6515 | 4.1607 | 2.02961 | 3.33 | null |
CdSe | Cd | Se | F | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.5482 | -0.388794 | -0.83 | null |
CdSe | Cd | Se | Cu | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.6052 | -0.42922 | -0.88 | null |
CdSe | Cd | Se | Os | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.229 | -0.162411 | -0.55 | null |
CdSe | Cd | Se | Cl | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.343 | -0.243262 | -0.65 | null |
CdSe | Cd | Se | Pd | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3088 | -0.219007 | -0.62 | null |
CdSe | Cd | Se | Si | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3316 | -0.235177 | -0.64 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3772 | -0.267518 | -0.68 | null |
CdSe | Cd | Se | Ge | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.1948 | -0.138156 | -0.52 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.5938 | -0.421135 | -0.87 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | 0.0446 | 0.031631 | -0.31 | null |
CdSe | Cd | Se | Se | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 0.4094 | 0.290355 | 0.01 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.457 | -0.324113 | -0.75 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.172 | -0.121986 | -0.5 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.4342 | -0.307943 | -0.73 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.4342 | -0.307943 | -0.73 | null |
CdSe | Cd | Se | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2746 | -0.194752 | -0.59 | null |
CdSe | Cd | Se | Au | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3772 | -0.267518 | -0.68 | null |
CdSe | Cd | Se | Hf | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 0.0104 | 0.007376 | -0.34 | null |
CdSe | Cd | Se | Cd | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2974 | -0.210922 | -0.61 | null |
CdSe | Cd | Se | 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 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.4114 | -0.291773 | -0.71 | null |
CdSe | Cd | Se | Co | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3658 | -0.259433 | -0.67 | null |
CdSe | Cd | Se | Fe | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.1378 | -0.09773 | -0.47 | null |
CdSe | Cd | Se | 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 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2404 | -0.170496 | -0.56 | null |
CdSe | Cd | Se | Cd | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3544 | -0.251348 | -0.66 | null |
CdSe | Cd | Se | K | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.286 | -0.202837 | -0.6 | null |
CdSe | Cd | Se | Cd | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.3202 | -0.227092 | -0.63 | null |
CdSe | Cd | Se | Cd | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2974 | -0.210922 | -0.61 | null |
CdSe | Cd | Se | Ca | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 0.8198 | 0.581418 | 0.37 | null |
CdSe | Cd | Se | B | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 1.4582 | 1.034184 | 0.93 | null |
CdSe | Cd | Se | 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 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 1.31 | 0.929078 | 0.8 | null |
CdSe | Cd | Se | Sr | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2632 | -0.186667 | -0.58 | null |
CdSe | Cd | Se | Ca | 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 | 1.41 | 6.21 | 10.2 | 0.5954 | -0.2518 | -0.178582 | -0.57 | null |
CdSe | Cd | Se | La | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 2 | 1.41 | 6.21 | 10.2 | 0.5954 | 1.2074 | 0.856312 | 0.71 | null |
CdSe | Cd | Se | F | 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 | -2 | -3 | 1.41 | 6.21 | 10.2 | 0.5954 | 3.1112 | 2.206525 | 2.38 | null |
CdSe | Cd | Se | Cu | Cd | 3 | M_Cd | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 1.41 | 6.21 | 10.2 | 0.5954 | 3.0542 | 2.166099 | 2.33 | null |
CdSe | Cd | Se | Os | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | -2 | -3 | 1.41 | 6.21 | 10.2 | 0.5954 | 3.0884 | 2.190355 | 2.36 | null |
CdSe | Cd | Se | Cl | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | -2 | -3 | 1.41 | 6.21 | 10.2 | 0.5954 | 3.2594 | 2.311631 | 2.51 | null |
CdSe | Cd | Se | Pd | 0 | int_5 | M_i_Se_site | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | -2 | -3 | 1.41 | 6.21 | 10.2 | 0.5954 | 3.6926 | 2.618865 | 2.89 | null |
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