This graphic by DuckYoung Kim illustrates how the team calculated the crystal stucture of metallic silane. The team evaluated possible structures (represented as balls and sticks) using three main test criteria: band gap (insulating versus metallic); phonon spectrum (dynamical stability); and enthalpy differences. The structure under the magnifying glass is the one that best fits the criteria for metallic silane.
(Courtesy: DuckYoung Kim).
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