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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CdSeS | Cd | SeS | 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 | 2 | 1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.5412 | 0.939756 | 1.02 | 1.560501 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 1.5412 | 0.939756 | 1.02 | 1.560501 |
CdSeS | Cd | SeS | S | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 1.8034 | 1.099634 | 1.25 | 1.584359 |
CdSeS | Cd | SeS | 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 | 1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.45 | 0.884146 | 0.94 | 1.617332 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 1.7122 | 1.044024 | 1.17 | 1.713013 |
CdSeS | Cd | SeS | 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 | 1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.5868 | 0.967561 | 1.06 | 1.757436 |
CdSeS | Cd | SeS | Se | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.792 | 1.092683 | 1.24 | 1.773271 |
CdSeS | Cd | SeS | 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 | 1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.5526 | 0.946707 | 1.03 | 1.790934 |
CdSeS | Cd | SeS | Se | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.248 | 1.370732 | 1.64 | 1.808529 |
CdSeS | Cd | SeS | 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 | 1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.6324 | 0.995366 | 1.1 | 1.837564 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.077 | 1.266463 | 1.49 | 1.848688 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 1.9744 | 1.203902 | 1.4 | 1.884548 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.5412 | 0.939756 | 1.02 | 1.890934 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.2056 | 1.954634 | 2.48 | 1.890934 |
CdSeS | Cd | SeS | F | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 1.678 | 1.023171 | 1.14 | 1.896774 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 2.0086 | 1.224756 | 1.43 | 1.902918 |
CdSeS | Cd | SeS | Si | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 1.9402 | 1.183049 | 1.37 | 1.922782 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 1.9516 | 1.19 | 1.38 | 1.965261 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.1112 | 1.287317 | 1.52 | 2.005918 |
CdSeS | Cd | SeS | 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 | 1.64 | 6.07 | 9.55 | 0.608 | 1.8148 | 1.106585 | 1.26 | 2.036724 |
CdSeS | Cd | SeS | Br | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 1.8604 | 1.13439 | 1.3 | 2.038375 |
CdSeS | Cd | SeS | O | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 1.8376 | 1.120488 | 1.28 | 2.048449 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.3164 | 1.412439 | 1.7 | 2.113125 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.3164 | 1.412439 | 1.7 | 2.113125 |
CdSeS | Cd | SeS | 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 | 1.64 | 6.07 | 9.55 | 0.608 | 1.963 | 1.196951 | 1.39 | 2.15425 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 2.0656 | 1.259512 | 1.48 | 2.200735 |
CdSeS | Cd | SeS | 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 | 1 | 0 | 1.64 | 6.07 | 9.55 | 0.608 | 2.134 | 1.30122 | 1.54 | 2.210477 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.2936 | 1.398537 | 1.68 | 2.215424 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.0884 | 1.273415 | 1.5 | 2.237857 |
CdSeS | Cd | SeS | F | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.1796 | 1.329024 | 1.58 | 2.361063 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.3164 | 1.412439 | 1.7 | 2.403723 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.3392 | 1.426341 | 1.72 | 2.414792 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.6584 | 1.620976 | 2 | 2.592862 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.6926 | 1.641829 | 2.03 | 2.651404 |
CdSeS | Cd | SeS | O | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.4532 | 1.495854 | 1.82 | 2.674341 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.4532 | 1.495854 | 1.82 | 2.694559 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.5444 | 1.551463 | 1.9 | 2.694836 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.8066 | 1.711341 | 2.13 | 2.696668 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.7268 | 1.662683 | 2.06 | 2.697002 |
CdSeS | Cd | SeS | Br | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.5216 | 1.537561 | 1.88 | 2.714829 |
CdSeS | Cd | SeS | 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 | 0 | -1 | 1.64 | 6.07 | 9.55 | 0.608 | 2.7724 | 1.690488 | 2.1 | 2.718008 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.6812 | 1.634878 | 2.02 | 2.751697 |
CdSeS | Cd | SeS | F | S | 5 | M_S | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.0004 | 1.829512 | 2.3 | 2.998506 |
CdSeS | Cd | SeS | 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 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.9662 | 1.808659 | 2.27 | 3.067307 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.0004 | 1.829512 | 2.3 | 3.078668 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.1828 | 1.940732 | 2.46 | 3.119279 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.16 | 1.926829 | 2.44 | 3.128381 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.103 | 1.892073 | 2.39 | 3.130113 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.1942 | 1.947683 | 2.47 | 3.143592 |
CdSeS | Cd | SeS | 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 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 2.875 | 1.753049 | 2.19 | 3.164198 |
CdSeS | Cd | SeS | 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 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.3082 | 2.017195 | 2.57 | 3.26106 |
CdSeS | Cd | SeS | Br | Se | 5 | M_Se | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | -2 | 1.64 | 6.07 | 9.55 | 0.608 | 3.4678 | 2.114512 | 2.71 | 3.314475 |
CdTe | Cd | Te | Be | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.4206 | -0.313881 | -0.65 | -0.381238 |
CdTe | Cd | Te | N | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.4434 | -0.330896 | -0.67 | -0.358045 |
CdTe | Cd | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.318 | -0.237313 | -0.56 | -0.357542 |
CdTe | Cd | Te | Se | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.3066 | -0.228806 | -0.55 | -0.285421 |
CdTe | Cd | Te | Co | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.09 | -0.067164 | -0.36 | -0.274373 |
CdTe | Cd | Te | Ag | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.2838 | -0.211791 | -0.53 | -0.271464 |
CdTe | Cd | Te | Cl | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.2382 | -0.177761 | -0.49 | -0.257482 |
CdTe | Cd | Te | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.1926 | -0.143731 | -0.45 | -0.227859 |
CdTe | Cd | Te | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.0786 | -0.058657 | -0.35 | -0.227654 |
CdTe | Cd | Te | Au | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.1128 | -0.084179 | -0.38 | -0.208507 |
CdTe | Cd | Te | Na | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.1128 | -0.084179 | -0.38 | -0.199356 |
CdTe | Cd | Te | Pd | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.1356 | -0.101194 | -0.4 | -0.191277 |
CdTe | Cd | Te | Bi | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.1584 | -0.118209 | -0.42 | -0.179546 |
CdTe | Cd | Te | Ru | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.2724 | -0.203284 | -0.52 | -0.16687 |
CdTe | Cd | Te | Rb | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.0216 | -0.016119 | -0.3 | -0.16447 |
CdTe | Cd | Te | Si | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.2268 | -0.169254 | -0.48 | -0.13907 |
CdTe | Cd | Te | N | 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 | -0.1356 | -0.101194 | -0.4 | -0.105822 |
CdTe | Cd | Te | 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 | 1 | 0 | 1.34 | 6.63 | 10.6 | 0.508 | -0.0102 | -0.007612 | -0.29 | -0.105332 |
CdTe | Cd | Te | Be | 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 | -0.0444 | -0.033134 | -0.32 | -0.099762 |
CdTe | Cd | Te | Se | 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 | 0.0582 | 0.043433 | -0.23 | -0.012131 |
CdTe | Cd | Te | Ag | 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 | 0.0696 | 0.05194 | -0.22 | 0.01229 |
CdTe | Cd | Te | Cr | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.2406 | 0.179552 | -0.07 | 0.024223 |
CdTe | Cd | Te | Ru | 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 | 0.0468 | 0.034925 | -0.24 | 0.045016 |
CdTe | Cd | Te | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.3774 | 0.281642 | 0.05 | 0.068054 |
CdTe | Cd | Te | Tc | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.4686 | 0.349701 | 0.13 | 0.125109 |
CdTe | Cd | Te | Pt | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | -0.0102 | -0.007612 | -0.29 | 0.169259 |
CdTe | Cd | Te | 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 | 0 | -1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.3546 | 0.264627 | 0.03 | 0.171008 |
CdTe | Cd | Te | N | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.2292 | 0.171045 | -0.08 | 0.172542 |
CdTe | Cd | Te | I | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.081 | 0.060448 | -0.21 | 0.195009 |
CdTe | Cd | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.1152 | 0.08597 | -0.18 | 0.199458 |
CdTe | Cd | Te | Pd | 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 | 0.3432 | 0.256119 | 0.02 | 0.248675 |
CdTe | Cd | Te | Te | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.537 | 0.400746 | 0.19 | 0.3295 |
CdTe | Cd | Te | Ag | Cd | 3 | M_Cd | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.4914 | 0.366716 | 0.15 | 0.34651 |
CdTe | Cd | Te | Si | 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 | 0.1836 | 0.137015 | -0.12 | 0.352586 |
CdTe | Cd | Te | Ti | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.1038 | 0.077463 | -0.19 | 0.423912 |
CdTe | Cd | Te | Pt | 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 | 0.5028 | 0.375224 | 0.16 | 0.426301 |
CdTe | Cd | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.3432 | 0.256119 | 0.02 | 0.444925 |
CdTe | Cd | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.5712 | 0.426269 | 0.22 | 0.465331 |
CdTe | Cd | Te | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.0582 | 0.043433 | -0.23 | 0.482377 |
CdTe | Cd | Te | Zn | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.366 | 0.273134 | 0.04 | 0.516364 |
CdTe | Cd | Te | I | 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 | 0.651 | 0.485821 | 0.29 | 0.593321 |
CdTe | Cd | Te | 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 | 1 | 0 | 1.34 | 6.63 | 10.6 | 0.508 | 0.3888 | 0.290149 | 0.06 | 0.686265 |
CdTe | Cd | Te | In | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.6282 | 0.468806 | 0.27 | 0.710335 |
CdTe | Cd | Te | Ge | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.6738 | 0.502836 | 0.31 | 0.715376 |
CdTe | Cd | Te | Si | Te | 5 | M_Te | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | -1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.6168 | 0.460299 | 0.26 | 0.728019 |
CdTe | Cd | Te | B | 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 | 2 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.5712 | 0.426269 | 0.22 | 0.74049 |
CdTe | Cd | Te | In | 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 | 0.8562 | 0.638955 | 0.47 | 0.78914 |
CdTe | Cd | Te | Te | 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 | 1 | 1.34 | 6.63 | 10.6 | 0.508 | 0.7194 | 0.536866 | 0.35 | 0.798326 |
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