@article{a.leineweber20171, author = {A. Leineweber and T. Hickel and B. Azimi-Manavi and S. Maisel}, title = {Crystal structures of Fe$_4$C vs. Fe$_4$N analysed by DFT calculations: Fccbased interstitial superstructures explored}, journal = {Acta Materialia}, volume = {140}, OPTnumber = {}, OPTmonth = {01}, year = {2017}, OPTpages = {433442}, OPTnote = {}, OPTkey = {Iron carbides; iron nitrides; DFT calculations; crystal structure; thermodynamic stability}, DOI = {10.1016/j.actamat.2017.08.059} }