Noncentrosymmetric　cubic　Re3W　(NCS　c-Re3W)　is　a　promising　materials　for　structural　and　functional　applications.　The　Re3W　powders　were　prepared　by　spray　drying　method　combined　with　two　steps　reduction　by　hydrogen.　The　lattice　constants　are　experimentally　determined　by　Rietveld　refinement　method　based　on　XRD　data.　The　structural,　mechanical,　thermodynamic　and　electronic　properties　of　NCS　c-Re3W　have　been　systematically　investigated　by　density　functional　theory　and　quasi-harmonic　approaches.　The　calculated　lattice　constant　and　constant　volume　heat　capacity　CV　of　NCS　c-Re3W　are　in　excellent　agreement　with　the　experimental　results.　According　to　the　mechanical　characteristics　analysis,　NCS　c-Re3W　is　considered　as　a　ductile　and　anisotropic　material　with　high　bulk,　shear　and　Young＇s　module,　which　suggests　that　NCS　c-Re3W　is　an　excellent　structural　material.　Electronic　structures　calculations　shows　large　density　of　states　at　the　Fermi　level,　which　indicates　that　the　NCS　c-Re3W　is　a　promising　candidate　for　thermionic　cathode.　This　work　will　provide　a　comprehensive　understanding　on　the　fundamental　properties　of　NCS　c-Re3W　compound.　(C)　2017　Elsevier　B.V.　All　rights　reserved.