Finding viable superconducting materials is of interest to the physics community, as the superconductors are the playground for manifesting many appealing quantum phenomena. In this paper, we exemplify an end-to-end materials discovery toward ${\mathrm{MgB}}_2$-like superconductors, starting from data-driven compound screening to experimental materialization. In addition to the known superconducting compounds, ${\mathrm{CaB}}_2 (T_c=9.4–28.6\mathrm{K}), {\mathrm{SrGa}}_2 (T_c=0.1–2.4\mathrm{K}), {\mathrm{BaGa}}_2 (T_c=0.3–3.3\mathrm{K}), {\mathrm{BaAu}}_2 (T_c=0.0–0.5\mathrm{K})$, and ${\mathrm{LaCu}}_2 (T_c=0.1–2.2\mathrm{K})$ are discovered, out of ∼182 000 starting structures, to be the most promising superconducting compounds that share similar atomic structures with ${\mathrm{MgB}}_2$. Moreover, ${\mathrm{BaGa}}_2$ is experimentally synthesized and measured to confirm that the compound is a Bardeen-Cooper-Schrieffer superconductor with $T_c=0.36\mathrm{K}$, in good agreement with our theoretical predictions. In this paper, we provide a study for the ${\mathrm{MgB}}_2$-like superconductors and showcase that it is feasible to discover materials via a data-driven approach.

中文翻译：

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来自数据驱动筛选的具有类 MgB2 结构的超导材料

物理学界对寻找可行的超导材料很感兴趣，因为超导体是展示许多吸引人的量子现象的游乐场。在本文中，我们举例说明了一个端到端的材料发现${\mathrm{镁B}}_2$类超导体，从数据驱动的化合物筛选到实验物化。除了已知的超导化合物，${\mathrm{出租车}}_2 ({吨}_C=9.4–28.6\mathrm{ķ}), {\mathrm{锶镓}}_2 ({吨}_C=0.1–2.4\mathrm{ķ}), {\mathrm{钡加}}_2 ({吨}_C=0.3–3.3\mathrm{ķ}), {\mathrm{钡金}}_2 ({吨}_C=0.0–0.5\mathrm{ķ})$， 和${\mathrm{拉铜}}_2 ({吨}_C=0.1–2.2\mathrm{ķ})$在 ∼182 000 个起始结构中被发现是最有希望的超导化合物，它们具有相似的原子结构${\mathrm{镁B}}_2$. 而且，${\mathrm{钡加}}_2$通过实验合成和测量，以确认该化合物是 Bardeen-Cooper-Schrieffer 超导体，具有${吨}_C=0.36\mathrm{ķ}$，与我们的理论预测非常吻合。在本文中，我们提供了一项研究${\mathrm{镁B}}_2$- 类似超导体，并展示了通过数据驱动的方法发现材料是可行的。