Abstract : We present first principles enthalpies of formation and lattice parameters of iron, nickel, chromium and niobium alloys. Some of these results have been partially used in a recent assessment of the Fe-Ni-Cr-Nb quaternary phase diagram. Emphasis has been put on the fcc (A1) and bcc (A2) unary structures, the X3Y -D022,-L12,-D03,-D0a,X2Y -C14(MgZn2),-C15(MgCu2) and -C36 (MgNi2) Laves and X7Y 6-D85 (μ) binary phases, and the X8Y 4Z18-D8b (σ) ternary phase. We employed the state of the art to compute their properties by means of the DFT (PBE functional and PAW pseudo potentials). A comparison with experimental and theoretical data is also provided.
