Table 2 Bader charges analysis on the Zintl-type Sr(Cu,Ag,Zn)Sb compounds

From: Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics

Atom

SrCuSb

SrAgSb

Sr2ZnSb2

Sr (e)

−1.345

−1.370

−1.283

Cu/Ag/Zn (e)

0.329

0.471

0.033

Sb (e)

1.016

0.899

Sb1/Sb2(1.600/0.933)

  1. Negative values in the table represent the number of electrons lost, and positive values represent the number of electrons gained.
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