The relation between the effective hydrogen storage capacity CH of Ti-V-Cr alloys and out-layer electrons, atomic diameter difference, electronegativity difference has been studied. It is shown that their relation can be expressed as TlnCH = 0.45922T＋5044.8 (DX)2＋1250.6δ2－285.80 n2/3. The factor of out-layer electrons has the largest effect on the CH of Ti-V-Cr alloys, while the factor of electronegativity difference has the smallest effect among the three bond parameters. The effective hydrogen storage capacity of Ti-V-Cr alloys is greater than 2.0wt% when n2/3 values of Ti-V-Cr alloys are between 1.98 and 2.14, d2 values are between 0.255 and 0.288 and (DX) 2 values are between 0.0638 and 0.0765