In this paper, a hybrid neural network (HNN) that combines a convolutional neural network (CNN) and long short-term memory neural network (LSTM) is proposed to extract the high-level characteristics of materials for critical temperature (Tc) prediction of superconductors. Firstly, by obtaining 73,452 inorganic compounds from the Materials Project (MP) database and building an atomic environment matrix, we obtained a vector representation (atomic vector) of 87 atoms by singular value decomposition (SVD) of the atomic environment matrix. Then, the obtained atom vector was used to implement the coded representation of the superconductors in the order of the atoms in the chemical formula of the superconductor. The experimental results of the HNN model trained with 12,413 superconductors were compared with three benchmark neural network algorithms and multiple machine learning algorithms using two commonly used material characterization methods. The experimental results show that the HNN method proposed in this paper can effectively extract the characteristic relationships between the atoms of superconductors, and it has high accuracy in predicting the Tc.Symmetry 2020, 12, 262 2 of 13 same time, the prediction of the Tc of superconductors, especially high-temperature superconductors, is not very accurate. The solution of these problems depends on the discovery of superconductors or similar materials and an understanding of the physical properties of these materials. Although this was the focus of research for the past 30 years, the prediction of Tc of superconductors is still very difficult.Advances in computers, as well as the development and continuous improvement of first-principles computational quantum chemistry theories and statistical (or machine learning) methods, greatly influenced research activities related to material discovery and design [12]. Material design for high-throughput (HT) calculations made progress in determining the structure of thousands of inorganic solids [13,14]. Since 1970, density functional theory (DFT) is widely used in the calculation of solid-state physics. In most cases, compared with other methods for solving multi-body problems in quantum mechanics, DFT using local density approximation gives very satisfactory results, and solid-state computing is less expensive than experiments. DFT is the leading method for the calculation of electronic structures in various fields; however, these methods are currently not suitable for high-level calculations due to the high-cost calculation. When using standard exchanges and correlation functions such as Perdew-Berke-Ernzerhof (PBE) [15] which is currently the most widely used exchange-related functional form in the calculation of solid structures, there are cases where the system is underestimated compared to the experimental values.In addition to prediction models based on physical principles/theories, the machine learning [16-21] approach for Tc prediction is a data-driven prediction model, which exploits the relationship between material ...