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We compute for the first time a complete charge analysis (Bader and Borneffective) on $X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba). The crystals show agreat electron sharing with little possibility of ferroelectricity. $Inverse$perovskites have been a center of attraction in the recent years and not muchis known on the systems under this study. This research addressed some keymissing components and decomponents like the hardness and optical spectrum in$X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba). The computed lattices slightlydeviated from the parent perovskites indicating a future interfacing under aproper substrate. We also found out that all the crystals under this study weresemiconducting with direct band gaps but plastic in nature due to strongcovalency. The optical spectrum revealed very strong activity in these crystalsin the ultraviolet regime. The information herein will definitely guide theexperimentalist in fabrication of these materials for novel functionalities.

Low Born effective Charges, High Covalency and Strong Optical Activity in $X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba) $inverse$-perovskites