Using computational methods of atomistic simulations, the structure of a new compound WB5 with high boron content was predicted to have a high Vickers hardness of 45 GPa [1]. A detailed study of the stability of the structure as a function of the amount of boron in it allowed us to synthesize this material and formulate rules that determine the probable local structural motifs in the disordered WB5-x structure, all of which are boron-deficient [2] This method was then refined and improved for more efficient and selective synthesis of WB5-x powders [3]. The new synthesis technology (allowing scalable synthesis) and excellent mechanical properties make WB5-x a very promising material for drilling technology. Since the synthesis product is a nanometer powder of higher tungsten boride, it is extremely promising to investigate its catalytic properties for use as an active material of catalysts for CO oxidation, photocatalytic hydrogen production [4], CO2 reduction reactions, and to study its catalytic activity. The results of research on the catalytic activity of higher tungsten boride will also be presented. References 1. Kvashnin A.G., Zakaryan H.A., Zhao C., Duan Y., Kvashnina Y.A., Xie C., Dong H., Oganov A.R. New Tungsten Borides, Their Stability and Outstanding Mechanical Properties // J. Phys. Chem. Lett. 2018. Vol. 9, ¹ 12. P. 3470–3477. 2. Kvashnin A.G., Rybkovskiy D.V., Filonenko V.P., Bugakov V.I., Zibrov I.P., Brazhkin V.V., Oganov A.R., Osiptsov A.A., Zakirov A.Ya. WB5–x: Synthesis, Properties, and Crystal Structure. New Insights Into the Long-Debated Compound // Adv Sci. 2020. Vol. 7. P. 200775. 3. Pak A.Ya., Rybkovskiy D.V., Vassilyeva Y.Z., Kolobova E.N., Filimonenko A.V., Kvashnin A.G. Efficient Synthesis of WB5–x–WB2 Powders with Selectivity for WB5–x Content // Inorg. Chem. American Chemical Society, 2022. Vol. 61, ¹ 18. P. 6773–6784. 4. Yu. Kurenkova A., Radina A.D., Baidyshev V.S., Povalyaev P.V., Aidakov E.E., Yu. Gerasimov E., Mishchenko D.D., Zhurenok A.V., Ya. Pak A., Kozlova E.A., Kvashnin A.G. Photocatalytic H2 generation and CO2 reduction by WB5-x cocatalyst of TiO2 catalyst // Appl. Surf. Sci. 2024. Vol. 661. P. 160095.