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. 2022 Oct 11;13:5993. doi: 10.1038/s41467-022-33497-1

Table 1.

List of simulated TM-carbides and PHEC structures at varying composition

# Carbide E0 h(E0) Ep g4g5g6 Class
TaC 2.72 0.113 23.07 0 5 0
HfTa4C5 2.41 0.112 22.36 1 4 0
1 HfNbTiVZrC5 1.21 0.012 21.68 3 2 0 3g4
2 HfTaTiVZrC5 1.29 0.029 21.74 3 2 0 3g4
3 HfNbTaTiZrC5 1.42 0.071 21.63 3 2 0 3g4
4 HfTaTiWZrC5 1.77 0.042 21.91 3 1 1 3g4
5 NbTaTiVZrC5 1.52 0.035 22.20 2 3 0 3g5
6 HfNbTaTiVC5 1.59 0.039 22.50 2 3 0 3g5
7 HfNbTaVZrC5 1.62 0.038 21.84 2 3 0 3g5
8 NbTaTiVWC5 1.96 0.045 23.43 1 3 1 3g5
9 MoNbTaVWC5 2.35 0.022 24.35 0 3 2 3g5
10 CrMoTiVWC5 1.77 0.016 24.68 1 1 3 3g6
11 CrMoNbVWC5 2.08 0.012 24.51 0 2 3 3g6
12 CrMoTaVWC5 2.21 0.010 24.58 0 2 3 3g6
13 CrMoNbTaWC5 2.48 0.012 24.25 0 2 3 3g6
14 HfNbTaTiWC5 1.96 0.060 22.55 2 2 1 2g42g5

The crossover (E0) and the bulk plasmon energies (Ep) are expressed in eV. The effective EELS intensity coefficient (h) is calculated at E = E0 and expressed in arbitrary units. PHECs are ordered in four Classes depending on the the number of composing TMs from group 4 g4 (Ti, Nb, Hf), group 5 g5 (V, Nb, Ta), and group 6 g6 (Cr, Mo, W) of the periodic table.