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• W2034974300 abstract "Synthesized osmium carbide (OsC) was reported in tungsten carbide (WC) structure, inconsistent with recent theoretical finding that the WC-structured OsC does not satisfy the mechanical stability criteria. The first-principles calculations of osmium carbide for nine hypothetical structures indicate that OsC with FeSi structure, NiAs structure, and CoSn structure satisfy the mechanical stability criteria. Based on the simulated x-ray diffraction data of WC structure and NiAs structure, we consider that the experimentally synthesized OsC is of the NiAs structure rather than the WC structure. In addition, the Os–C bond in NiAs-structured OsC has metallic feature, responsible for low hardness." @default.
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• W2034974300 date "2008-07-28" @default.
• W2034974300 modified "2023-09-25" @default.
• W2034974300 title "Structure and mechanical properties of osmium carbide: First-principles calculations" @default.
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• W2034974300 doi "https://doi.org/10.1063/1.2964179" @default.
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