Supplementary Material

See Supplementary Material for computational details, mechanical properties of the FeB2C2 and FeB2C2, p-orbital contribution of MAE, bonding characteristics and electronic structure of FeB2C2, and so on.请参见补充材料（Supplementary Material）以了解计算细节、FeB₂C₂与FeB₂C₂的力学性能、平均绝对误差（Mean Absolute Error，MAE）的p轨道贡献，以及FeB₂C₂的成键特性与电子结构等内容。