Abstarct: Abstract In the present study, the Full Potential Linearized Augmented Plane Wave (FP-LAPW) method within the various exchange correlation potentials is used to obtain Solid State NMR parameters by WIEN2K package. At first, Nuclear Magnetic Resonance (NMR) spectroscopy for 31P, 209Bi and 51V atoms is calculated in baxsed on P and Bi compounds by using PBE-GGA, mBJ, GGA+U+SO and GGA+U (U= 3, 4, 5, 6, 7) approximations. To calculated the chemical shift of 31P, 209Bi and 51V atoms, we have considered the reference compounds H3PO4, BiI3O9 and VOCL3, respectively. To calculated magnetic shielding and chemical shift are arranged in a straight line. Obtained results show that the M ions have the most important influence on the 31P, 209Bi and 51V chemical shift. Then density of states and optical properties were investigated and they were compared with the NMR parameters. In addition to the structural and optical properties for MP3 (M= 193Ir, 59Co, 103Rh and 61Ni), thermal properties were also investigated. In order to better understand the NMR, magnetic properties and hyperfine field for BiMPO5 (M= 61Ni, 59Co and 55Mn) and BiM2PO6 (M= 64Zn, 63Cu and 55Mn) compounds and the electric field gradient (EFG) of Bi, M and V atoms for BiMVO5 (M= 20Ca, 12Mg and 48Cd) compounds was studied.