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\label{sec:cuprates2}  With the hindsight of the experience of our first attempt in designing new cuprates, we revisited the question of designing novel cuprates from a broader viewpoint. Theoretical design of novel cuprates is challenging because much of the phase space has been explored. This means that most simple point substitutions have likely been explored. On the other hand, broadening to an exhaustive search over all possible compositions containing copper isn't cost effective with current algorithms and computational resources. Performing structural prediction for each new composition is prohibitively costly.  Rather than designing novel cuprates from scratch, we took an intermediate route: begin with the family with the highest known transition temperatures, the Hg-based cuprates, and modulate its spacer layers. Using materials databases, we were able to efficiently screen through hundreds of proposed compositions to arrive at the most plausible candidates.  We shuffled the order of the workflow: we began with a universe of 333 proposed compositions, and narrowed them down to a handful for which we could perform structural prediction. Once we had the structure, we then checked its global stability, and finally computed its electronic structure. We describe the process below.  \emph{Structure prediction} --  Taking the Hg-based cuprates as an example (Fig.~\ref{fig:stack}), we viewed the cuprates as a stack of functional layers, with the composition of each layer chosen to play a specific role. The central copper oxide (CuO$_2$) plane supports superconductivity and roughly constrains the in-plane lattice constant. The remaining layers must tune the chemical potential of the CuO$_2$ layer without rumpling the plane or introducing disorder, and isolate each CuO$_2$ plane to create a 2D system.