The phenomena of shape evolution and shape coexistence in even-even 88−126 Zr and 88−126 Mo isotopes is studied by employing covariant density functional theory (CDFT) with density-dependent point coupling parameter sets DD-PCX and DD-PC1, and with separable pairing interaction. The results for rms deviation in binding energies, two-neutron separation energy, differential variation of two-neutron separation energy, and rms charge radii, as a function of neutron number, are presented and compared with available experimental data. In addition to the oblate-prolate shape coexistence in 96−110 Zr isotopes, the correlation between shape transition and discontinuity in the observables are also examined. A smooth trend of charge radii in Mo isotopes is found to be due to the manifestation of triaxiality softness. The observed oblate and prolate minima are related to the low single-particle energy level density around the Fermi level of neutron and proton respectively. The present calculations also predict a deformed bubble structure in 100 Zr isotope.