fig3

Figure 3. (A) The snapshots of solid, solid-liquid coexistence, and liquid states of HEMB₂_Ti during MD simulations; (B) Illustration of how the melting point value is determined based on V~T data; (C) Comparison of experimentally measured and calculated melting points of TMB₂s, as well as the calculated melting points of HE-TMB₂s, and the estimated values obtained by averaging the melting points of their constituent compounds. The composition of HEMB₂_4, HEMB₂_Ti, HEMB₂_V and HEMB₂_W are Zr_0.25Hf_0.25Nb_0.25Ta_0.25B₂, Ti_0.2Zr_0.2Hf_0.2Nb_0.2Ta_0.2B₂, V_0.2Zr_0.2Hf_0.2Nb_0.2Ta_0.2B₂, and W_0.2Zr_0.2Hf_0.2Nb_0.2Ta_0.2B₂, respectively. Melting point values are listed in Supplementary Table 1. MD: Molecular dynamics; HE-TMB₂s: high-entropy transition metal diborides.