The Vienna Ab initio Simulation Package (VASP) , which implements the projector augmented-wave approach to DFT with PBE GGA functionals is used for all FP calculations. Calculations are spin-polarized and a kinetic energy cutoff of 500 eV is applied. Due to the large size of unit cells, the Γ-centered k-Point grid of (1,2,3) is chosen. (U; J) values of (4:5; 0:6) for Ru and (4:7; 1:0) for Ni are utilized for PBE+U calculations. A huge number of potential energy calculations were needed to find the favorable doping positions and the minimum energy structures. A machine learning potential is built on-the-fly for accelerating the structure search with sparse Gaussian process potential (SGPP) algorithm as implemented in the AutoForce package.