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The unit cells for: (a) containing two units; (b) containing four units; (c) containing one unit; (d) containing four units; and (e) containing eight units. The carbon and nitrogen atoms are represented as black and white spheres, respectively.
Total energy , lattice parameters and , density , and bulk modulus of diamond and five polymorphs. The data in parentheses are experimental values.
Bond parameters and calculated Vickers hardness of diamond and four polymorphs. The experimental hardness of diamond is listed in parentheses.
Bond parameters and calculated Vickers hardness of polymorph.
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