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- W4213305323 abstract "Abstract We report a carbon‐boron clathrate with composition 2 La@B 6 C 6 (LaB 3 C 3 ). Like recently reported SrB 3 C 3 , [1] single‐crystal X‐ray diffraction and computational modelling indicate that the isostructural La member crystallizes in the cubic bipartite sodalite structure (Type‐VII clathrate) with La atoms encapsulated within truncated octahedral cages composed of alternating carbon and boron atoms. The covalent nature of the B−C bonding results in a hard, incompressible framework, and owing to the balanced electron count, La 3+ [B 3 C 3 ] 3− exhibits markedly improved pressure stability and is a semiconductor with an indirect band gap predicted near 1.3 eV. A variety of different guest atoms may potentially be substituted within Type‐VII clathrate cages, presenting opportunities for a large family of boron‐stabilized, carbon‐based clathrates with ranging physical properties." @default.
- W4213305323 created "2022-02-24" @default.
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- W4213305323 date "2020-12-09" @default.
- W4213305323 modified "2023-10-18" @default.
- W4213305323 title "A Lanthanum‐Filled Carbon–Boron Clathrate" @default.
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- W4213305323 doi "https://doi.org/10.1002/ange.202012821" @default.
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