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- W2017163878 abstract "We have made accurate pseudopotential calculations of the total energy of Na, K, and NaK in the CsCl structure, and ${mathrm{Na}}_{2}$K in the Mg${mathrm{Zn}}_{2}$ structure. For ${mathrm{Na}}_{2}$K, the only ordered alloy known to exist, we obtained a formation enthalpy, $H=ensuremath{-}16.1$ meV/atom, whereas for NaK we obtained $H=+7.5$ meV/atom. We argue that the negative $H$ of ${mathrm{Na}}_{2}$K is a consequence of unusual covalent bonds involving more than two Na atoms." @default.
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- W2017163878 modified "2023-10-17" @default.
- W2017163878 title "Multiatom covalent bonding and the formation enthalpy ofNa2K" @default.
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- W2017163878 doi "https://doi.org/10.1103/physrevb.53.14058" @default.
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