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The low‐temperature phase diagrams for the quasi‐binary lanthanum halogenides LaX3/LaY3 (X,Y = F, Cl, Br, I) were calculated at an ab initio level, without any recourse to experimental information. The starting point of our general approach is the global exploration of the enthalpy landscapes for many different compositions in these systems. Candidates for both ordered stoichiometric modifications...
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