Novel Superconducting Electrides in Ca–S System under High Pressures

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Due to their unique structure properties, most of the electrides that possess extra electrons locating in interstitial regions as anions are insulators. Metallic and superconducting electrides are very rare under ambient conditions. We systematically search possible compounds in Ca–S systems stabilized under various pressures up to 200 GPa, and investigate their crystal structures and properties using first-principles calculations.
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