Color centers in diamond are at the forefront of the second quantum revolution. A handful of defects are in use, and finding ones with all the desired properties for quantum applications is arduous. By using high-throughput calculations, we screen 21,607 defects in diamond and collect the results in the ADAQ database. Upon exploring this database, we find not only the known defects but also several unexplored defects. Specifically, defects containing sodium stand out as particularly relevant because of their high spins and predicted improved optical properties compared to the NV center. Hence, we studied these in detail, employing high-accuracy theoretical calculations. The single sodium substitutional (Na_C) has various charge states with spin ranging from 0.5 to 1.5, ZPL in the near-infrared, and a high Debye-Waller factor, making it ideal for biological quantum applications. The sodium vacancy (NaV) has a ZPL in the visible region and a potential rare spin-2 ground state. Our results show sodium implantation yields many interesting spin defects that are valuable additions to the arsenal of point defects in diamond studied for quantum applications.

钻石的色心处于第二次量子革命的前沿。少数缺陷正在使用中，找到具有量子应用所需所有特性的缺陷是很困难的。通过使用高通量计算，我们筛选了钻石中的 21,607 个缺陷，并将结果收集到 ADAQ 数据库中。在探索该数据库时，我们不仅发现了已知的缺陷，还发现了一些未发现的缺陷。具体来说，含有钠的缺陷由于其高自旋而显得尤为重要，并且与 NV 中心相比，预计光学性能会得到改善。因此，我们采用高精度理论计算对其进行了详细研究。单钠取代基 (Na _C ) 具有多种电荷态，自旋范围为 0.5 至 1.5，ZPL 位于近红外区域，并且具有高德拜-沃勒因子，使其成为生物量子应用的理想选择。钠空位 (NaV) 在可见光区域具有 ZPL 和潜在的稀有自旋 2 基态。我们的结果表明，钠注入产生了许多有趣的自旋缺陷，这些缺陷对于量子应用研究的金刚石点缺陷库来说是有价值的补充。