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. 2018 Oct 30;5(Pt 6):830–840. doi: 10.1107/S2052252518013519

Table 3. The designed predicting variables describing the intrinsic properties of the constituent elements and the structural properties of the materials in the lattice parameter prediction problem.

A and B are elements of the binary AB b.c.c. materials.

Category Predicting variables
Atomic properties of metals A r covA, m A, Z A, n eA, ℓA, χA, ρA
Atomic properties of metals B r covB, m B, Z B, n eB, ℓB, χB, ρB
Structural and additional information ρ, d χ, SumAD