Combined <i>ab initio</i> and experimental screening of phase stabilities in the Ce-Fe-Ti- <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>X</mml:mi></mml:math> system ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>X</mml:mi><mml:mo>=</mml:mo><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>4</mml:mn><mml:mi>d</mml:mi></mml:math> metals)

One of the main challenges for synthesis and application promising hard-magnetic compound $\mathrm{Ce}{\mathrm{Fe}}_{11}\mathrm{Ti}$ is formation Laves phases that are detrimental their thermodynamic stability magnetic properties. In this paper, we present an ab initio based approach to modify these in Ce-Fe-Ti system by additions $3d$ $4d$ elements. We combine highly accurate free-energy calculations with efficient screening technique determine critical annealing temperature $\mathrm{Ce(Fe,X)}{}_{11}\mathrm{Ti}$. The central findings dominant role enthalpy at $T=0$ K on chemical trends major relevance partial decompositions. Based insights, transition metals promote phase, such as Zn Tc, were predicted. comparison suction casting reactive crucible melting experiments Ce-Fe-Ti-X (X = Cu, Ga, Co, Cr) highlights additional quaternary