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Despite their extraordinary properties, electrides are still a relativelyunexplored class of materials with only a few compounds grown experimentally.Especially for layered electrides, the current researches mainly focus onseveral isostructures of Ca2N with similar interlayer two-dimensional (2D)anionic electrons. An extensive screening for different layered electrides isstill missing. Here, by screening materials with anionic electrons for thestructures in Materials Project, we uncover 12 existing materials as newlayered electrides. Remarkably, these layered electrides demonstrate completelydifferent properties from Ca2N. For example, unusual fully spin-polarizedzero-dimensional (0D) anionic electrons are shown in metal halides withMoS2-like structures; unique one-dimensional (1D) anionic electrons areconfined within the tubes of the quasi-1D structures; a coexistence of magneticand non-magnetic anionic electrons is found in ZrCl-like structures and a newternary Ba2LiN with both 0D and 1D anionic electrons. These materials not onlysignificantly increase the pool of experimentally synthesizable layeredelectrides but also are promising to be exfoliated into advanced 2D materials.

Discovery of Hidden Classes of Layered Electrides by Extensive High-throughput Materials Screening