Non-linear optical(NLO) materials are a special class of materials that exhibit anisotropic properties under electromagnetic radiation. These NLO materials are crucial in achieving desired frequencies in all solid state lasers that are utilized widely in various applica-1 tions like remote communications, formation of entangled photon pairs, medical diagnosis, etc. To date, only a handful of NLO materials have been discovered and utilized, including KBe2BO3F2 (KBBF), β-BaB2O4, 7 KH2PO4 (KDP), 8 KTiOPO4, 9 AgGaS2, and KTiOPO4 (KTP). Several studies have shown that sulfide plays a crucial role in developing mid-far infrared nonlinear optical materials. A practical NLO material must have i) Large second-harmonic generation (SHG) coefficient (χ(2)) value, preferably greater than 3.9 pmV -1 , to ensure efficient frequency conversion. ii) moderate to high band gap (>1.5-2.0 eV), to have high laser-induced damage thresholds (LIDTs). Qingchen Wu et al. explained why an NLO material must have a high thermal conductivity which in turn leads to high LIDT. However, a highly intense laser beam can induce rapid heating, not only causing localized thermal expansion but also non-uniform stress distribution which can lead to deformation, cracking, etc. Additionally, previous studies have shown the importance of Vickers hardness for NLO materials, Therefore we choose a cutoff with a hardness value(> 20 GPa) based on the distribution of hardness(Figure ) to screen materials. So far, high-throughput screening techniques based on intuition have proven successful in the discovery of new specialized materials such as NLO and auxetic materials. However, high throughput is often time-consuming, computationally intensive, and cumbersome due to the large amount of data processing required.