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Cu6Sn5 is an important intermetallic compound (IMC), which was known to improve greatly the reliability of the solder joints in integrated circuits. The first-principles calculation were performed to determine the stable structure of Cu(6-x) NixSn5 IMC. The structural and electronic properties of Cu(6-x)NixSn5 IMCs have been calculated. The results of energy calculation and density of states demonstrate that this Cu4Ni2Sn5 IMC had a more stable structure than Cu6Sn5. The mechanical stability of the systems was studied to compare the compressibility of the matrices. A priori rule is formulated to correlate the stability and composition of the said intermetallics.