  Using the WIEN2K code, the hydrogen storage capabilities of lithium-based
KXH$_3$ (X = Zn, Co) hydrides perovskites are examined. To verify the stability
of these hydrides, first-principles simulations are employed to examine their
structural, electronic, and hydrogen storage capabilities. These compositions'
structural investigation shows that the hydrides are stable and part of the
cubic space group (221 Pm-3m). We have examined several aspects of these
composition's features throughout, using the Perdew-Burke-Ernzerhof generalized
gradient approximation. The study identifies stable phases and structural
parameters of hydrides using B-E equations, assessing thermodynamic stability
in terms of hydrogen storage capacities. The metallic nature of these hydrides
is confirmed through band structure and density calculations using WIEN2K.
