First-principles structure determination of interface materials: The NixInAs nickelides

This work was supported in part by the EPSRC Grants No. EP/G007489/2, No. EP/J010863/1, and No. EP/I009973/1. All data supporting this study are provided as Supplemental Material accompanying this paper [25]. Computational resources from the University College London and London Centre for Nanotechnology Computing Services as well as HECToR and Archer as part of the UKCP consortium are gratefully acknowledged.