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. 2021 May 21;7(21):eabg1449. doi: 10.1126/sciadv.abg1449

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Fig. 3 — (A) Modulus of second-order FC (∣Φ⁽²⁾∣) in Mg₃Sb₂ (red), CaMg₂Sb₂ (orange), Mg₃Bi₂ (blue), and YbMg₂Bi₂ (purple). Bonds d₁ through d₅ are defined in (C) and (D). The largest change is found for the d₃ bond, which is much weaker in binaries than in ternaries. (B) The negative integrated pCOHP (−IpCOHP) for d₁, d₂, and d₃. The larger absolute value of IpCOHP at the Fermi energy of d₃ in CaMg₂Sb₂ than in Mg₃Sb₂ is in accordance with the ∣Φ⁽²⁾∣. Deformation electron density in (C) Mg₃Sb₂ and (D) CaMg₂Sb₂ at an isosurface value of 0.004 e/Å³. Yellow and blue are positive and negative values, respectively.