Crystallography Open Database

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Searching journal of publication like 'Journal of Chemical Theory and Computation' volume of publication is 2

COD ID: 9014004
CIF file Formula: - C -
Comments: Bucknum, M. J.; Castro, E. A. The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes Journal of Chemical Theory and Computation 2 (2006) 775-781
Space group: P 6/m m m
Cell volume: 80.349
Cell parameters: 4.89; 4.89; 3.88; 90; 90; 120;  


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