This dataset contains DFT enthalpies (PBE and PBE+TS), Raman spectra and AIRSS search generators supporting the paper "Unusually Complex Phase of Dense Nitrogen at Extreme Conditions" published in Nature Communications.
Martinez-Canales, Miguel. (2018). i-N2 DFT data, [dataset]. University of Edinburgh. School of Physics and Astronomy. https://doi.org/10.7488/ds/2449
|Date made available||9 Nov 2018|