Fig. 2: DFT-derived enthalpies of formation of MA2Z4 monolayers. | Nature Communications

Fig. 2: DFT-derived enthalpies of formation of MA2Z4 monolayers.

From: Intercalated architecture of MA2Z4 family layered van der Waals materials with emerging topological, magnetic and superconducting properties

Fig. 2

Here, we only show the data for the five lowest-energy configurations. a and b are for M being the first transition-metal group elements and alkali-earth elements, respectively. In a, b, the enthalpies for each compound are relative to the total energies of the α1 and β1 structures, respectively. Note that VEC is the number of valence electrons for one chemical formula. For more details about enthalpies of formation refer to Supplementary Tables 2–7.

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