By means of first-principles cluster expansion, anisotropic superconductivity in the transition metal dichalcogenide Nb(Se$$_{x}$$
x
S$$_{1-x}$$
1
-
x
)$$_{2}$$
2
forming a van der Waals (vdW) layered structure is observed theoretically. We show that the Nb(Se$$_{0.5}$$
0.5
S$$_{0.5}$$
0.5
)$$_{2}$$
2
vdW-layered structure exhibits minimum ground-state energy. The Pnnm structure is more thermodynamically stable when compared to the 2H–NbSe$$_{2}$$
2
and 2H–NbS$$_{2}$$
2
structures. The characteristics of its phonon dispersions confirm its dynamical stability. According to electronic properties, i.e., electronic band structure, density of states, and Fermi surface indicate metallicity of Nb(Se$$_{0.5}$$
0.5
S$$_{0.5}$$
0.5
)$$_{2}$$
2
. The corresponding superconductivity is then investigated through the Eliashberg spectral function, which gives rise to a superconducting transition temperature of 14.5 K. This proposes a remarkable improvement of superconductivity in this transition metal dichalcogenide.