Mechanical　properties,　electronic　properties,　and　Debye　temperatures　of　NixBy　(Ni3B,　Ni2B,　Ni4B3　and　NiB)　compounds　were　obtained　by　the　first　principles　calculations　based　on　the　density　functional　theory　(DFT).　The　results　showed　that　the　formation　enthalpy　of　the　NixBy　compounds　were　stable　with　negative　formation　enthalpy.　NiB　had　the　largest　B,　G,　and　E,　and　the　smallest　v;　it　also　had　the　highest　hardness　(10.8　GPa)　and　Debye　temperature　(681.8　K).　Ni4B3　had　the　strongest　anisotropy.　It　was　found　that　the　valence　bonds　of　the　NixBy　compounds　studied　were　composed　of　both　metal　bond　and　covalent　bond,　and　the　mechanical　properties　and　Debye　temperature　of　the　NixBy　compounds　increased　with　the　increase　of　the　B　atomic　ratio.