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• W2000344024 abstract "On the basis of first-principles theory calculations, a nitrogen-rich C(3)N(12) solid was presented through a transformation from a molecular precursor, cyanuric triazide (C(3)N(3))(N(3))(3), under high pressure and temperature. The transformation mechanism is mainly governed by azide-tetrazole chain-ring tautomerism leading to the sp(2) to sp(3) orbital activation of all carbon atoms. The phase diagram and the equation of state were calculated together with the ambient metastability of the new C(3)N(12) solid that has a material density of 2.926 g cm(-3) and an energy density of 15.56 kJ g(-1)." @default.
• W2000344024 created "2016-06-24" @default.
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• W2000344024 creator A5062923740 @default.
• W2000344024 date "2010-11-30" @default.
• W2000344024 modified "2023-09-22" @default.
• W2000344024 title "A nitrogen-rich C₃N₁₂solid transformed from cyanuric triazide under high pressure and temperature" @default.
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• W2000344024 doi "https://doi.org/10.1088/0953-8984/22/50/505402" @default.
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