Multiferroics—materials attract considerable attention, due to their fascinating physics properties. The motivating physical properties of GdFe1−xCoxO3 (0.00 ≤ x ≤ 0.25) orthorhombic structure were adjusted in a controlled way by modifying the composition through the synthesis processes. The orthorhombic structure within the space group Pbnm is confirmed through X-ray diffraction patterns. The data reveal that the samples under investigation are G-type antiferromagnetic with a weak ferromagnetic moment. Dzyaloshinskii–Moriya interaction is a crucial source of the observed weak ferromagnetic behavior for the investigated samples. An anisotropy constant for GdFe0.9Co0.1O3 is approximately equal to 4065 emu Oe/gm, which is 9 times greater than that of GdFeO3 samples. The higher values of anisotropic constant K indicate that the prepared samples will be promising and helpful for technological applications at a variety of temperatures. Cobalt doping has a unique advantage as it reduces the switching field distribution and the change of the entropy (ΔS) of the investigated samples. The presence of Gd3+–O2− 2p, Fe3+–O2− 2p and Co–O-2p hybridization stabilizes the ferroelectric distortion causing an improvement in ferroelectric property. The effects of pH value and the contact time on the adsorption progression were studied and optimized to obtain the maximum possible adsorption efficiency of the Gadolinium/cobalt samples. The use of GdFe0.8Co0.2O3 removes 98% of lead from the waste water. The specific advantages of the investigated samples are ease of separation, high adsorption per unit area, low cost as well as recycled with significant efficiency. The investigated samples are recommended to be used as a reusable adsorbent for the highly efficient removal of lead metal ions from aqueous solutions.