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foundry-ml
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semiconductor_defectlevels_v1-1

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train · 2.91k rows

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
AlSb	Al	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	1.7	6.12	12.04	0.413757	-1.60567	-0.944512	-1.56315	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	-1.28886	-0.758153	-1.28524	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	-0.97815	-0.575382	-1.01269	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	-0.4151	-0.244176	-0.518791	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	-0.05239	-0.030818	-0.200618	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	1.47927	0.870159	1.142939	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	1.76585	1.038735	1.39433	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	2.01935	1.187853	1.61669	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	2.27414	1.337729	1.8402	null
AlSb	Al	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	1.7	6.12	12.04	0.413757	2.52905	1.487676	2.06377	null

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