Hexagonal boron-carbon fullerene heterostructures; Stable two-dimensional semiconductors with remarkable stiffness, low thermal conductivity and flat bands
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资源简介：
Data for the manuscript
"Atomic-Structures.zip" folder includes the Lattices, find "Lattices.jpg" for the illustration of atomic structures.
"Electronic-properties.zip" folder includes the electronic properties of every structure. Note that HIGH_SYMMETRY_POINTS for every structure are obtained using the VASPKIT package.
"Train-Data.cfg" includes the complete AIMD training datasets for the training of MTP.
"p.mtp" is the fitted MTP for the evaluation of mechanical and thermal properties
创建时间：
2023-07-13
