FIG. 1: Chemical potentials of Fe and Cr derived from xed-volume DFT simulations. Dashed blue and red lines show the interpolated values of Fe and Cr as functions of Cr content. Similar trends are found in calculations involving full cell relaxation.

FIG. 1: Chemical potentials of Fe and Cr derived from
xed-volume DFT simulations. Dashed blue and red
lines show the interpolated values of Fe and Cr as
functions of Cr content. Similar trends are found in
calculations involving full cell relaxation.

FIG. 1: Chemical potentials of Fe and Cr derived from xed-volume DFT simulations. Dashed blue and red lines show the interpolated values of Fe and Cr as functions of Cr content. Similar trends are found in calculations involving full cell relaxation.

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FIG. 1: Chemical potentials of Fe and Cr derived from xed-volume DFT simulations. Dashed blue and red lines show the interpolated values of Fe and Cr as functions of Cr content. Similar trends are found in calculations involving full cell relaxation.