Table 1 Bader charges.

From: Formation of ammonia–helium compounds at high pressure

Phase

Pressure (GPa)

Atom/Unit

Charge (e−)

I4–(NH3)2He

10

NH3

0.01

  

He

−0.02

Fmm2–(NH3)2He

120

NH2

−0.57

  

NH3

0.05

  

NH4

0.53

  

He

−0.03

Pnma–NH3He

40

NH3

0.03

  

He

−0.03

P212121–NH3He

180

NH3

0.03

  

He

−0.03

  1. Bader charges of the I4 phase of (NH3)2He at 10 GPa, the Fmm2 phase of (NH3)2He at 120 GPa, the Pnma phase of NH3He at 40 GPa, and the P212121 phase of NH3He at 180 GPa. A negative (positive) sign indicates an electron gain (loss) for the particular atom or molecule.
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