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Herein, we suggest an atom classification model(ACM) to explain the multicomponent materials based on the structural recognition, where the atoms tend to be categorized to approximate the full total energies. Using twodimensional planar C1-xBx and C1-2BN)x as instances, we now have found that the test mistake of total energies is about 3 meV per atom. Particularly, the distributions of classified atoms demonstrate the evolution of configurations as a function of heat, offering a