A Monkhorst-Pack grid of k-points was used to integrate the Brillouin zone, with a kpoint spacing finer than 2π × 0.03 Å -1 and with a plane-wave basis comprising plane-waves with energy up to 1500 eV. During the electronic minimisation process a Gaussian smearing scheme was used with a smearing width of 0.2 eV. The geometry was optimised until forces were less than 0.05 eV/Å. The OptaDOS code in combination with the Matador highthroughput environment were used to generate the electronic band structures and density of states. The c2x visualisation tool was used to obtain the spin-density representations. Acknowledgement M.J.C. and J.P. acknowledge funding from EPSRC Grant no. EP/X042782/1.