Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials have been successfully synthesized or exfoliated. Here, we search for 2D materials that can be easily exfoliated from their parent compounds. Starting from 108,423 unique, experimentally known 3D compounds, we identify a subset of 5,619 compounds that appear layered according to robust geometric and bonding criteria. High-throughput calculations using van der Waals density functional theory, validated against experimental structural data and calculated random phase approximation binding energies, further allowed the identification of 1,825 compounds that are either easily or potentially exfoliable. In particular, the subset of 1,036 easily exfoliable cases provides novel structural prototypes and simple ternary compounds as well as a large portfolio of materials to search from for optimal properties. For a subset of 258 compounds, we explore vibrational, electronic, magnetic and topological properties, identifying 56 ferromagnetic and antiferromagnetic systems, including half-metals and half-semiconductors.

二维（2D）材料已经成为下一代电子和光电应用的有前途的候选材料。但是，只有几十种2D材料已成功合成或剥离。在这里，我们搜索可以从其母体化合物中轻松剥离的2D材料。从108,423种独特的，实验已知的3D化合物开始，我们确定了5619种化合物的子集，这些子集根据稳健的几何和键合标准进行了分层。利用范德华斯密度泛函理论进行高通量计算，并根据实验结构数据进行了验证，并计算出了随机相近似的结合能，从而进一步鉴定了1,825种容易或可能脱落的化合物。特别是1的子集 036易于剥离的表壳提供了新颖的结构原型和简单的三元化合物，以及大量的材料组合，可从中寻找最佳性能。对于258种化合物的子集，我们探索了振动，电子，磁性和拓扑性质，确定了56个铁磁和反铁磁系统，包括半金属和半半导体。