Recently, a new 3D carbon allotrope named pentadiamond was proposed composed by mixed sp${}^2$ and sp${}^3$-like hybridization. In this work, we have carried out a detailed investigation of the electronic, optical and thermoelectric properties of pentadiamond structure using first-principles methods. Our results show that pentadiamond has an indirect bandgap semiconductor of $2.50\mathrm{eV}$ with GGA-PBE and $3.31\mathrm{eV}$ with HSE06. Its static dielectric constant is 4.70 and the static refractive index is 2.16. Pentadiamond presents low reflectivity, making it a good structure to be used as a UV collector. Also, pentadiamond is a material that presents good thermoelectric properties.

最近，有人提出了一种新的3D碳同素异形体，名为pentadiamond，由混合sp${}^2$ 和sp${}^3$样杂交。在这项工作中，我们使用第一性原理对五金刚石结构的电子，光学和热电性质进行了详细的研究。我们的结果表明，五金刚石具有一种间接的带隙半导体$2。50\mathrm{电子伏特}$ 与GGA-PBE和 $3。31\mathrm{电子伏特}$与HSE06。它的静态介电常数是4.70，静态折射率是2.16。Pentadiamond具有低反射率，使其成为用作紫外线收集剂的良好结构。同样，五金刚石是一种具有良好热电性能的材料。