In　this　work,　the　microstructure,　alloying　element　distribution,　and　borocarbide　mechanical　properties　of　high-boron　multi-component　alloy　with　Fe-2.0　wt.%B-0.4　wt.%C-6.0　wt.%Cr-x　wt.%Mo-1.0%Al-1.0　wt.%Si-1.0　wt.%V-0.5　wt.%Mn　(x　=　0.0,　2.0,　4.0,　6.0,　8.0)　are　investigated.　The　theoretical　calculation　results　and　experiments　indicate　that　the　microstructure　of　high-boron　multi-component　alloy　consists　of　ferrite,　pearlite　as　a　matrix　and　borocarbide　as　a　hard　phase.　As　a　creative　consideration,　through　the　use　of　first-principles　calculations,　the　comprehensive　properties　of　borocarbide　with　different　molybdenum　concentrations　have　been　predicted.　The　calculations　of　energy,　state　density,　electron　density　and　elastic　constant　of　Fe2B　crystal　cell　reveal　that　substitution　of　the　molybdenum　atom　in　the　Fe2B　crystal　cell　can　remarkably　improve　its　thermodynamic　stability,　bond　strength,　and　covalent　trend.　For　verifying　the　accuracy　of　this　theoretical　calculation,　nano-indentation　testing　is　carried　out,　the　results　of　which　indicate　that　the　actual　properties　of　borocarbide　present　favorable　consistency　with　the　theoretical　calculations.