نبذة مختصرة : Advances in theoretical and computational condensed matter physics have opened the possibility to predict and design magnetic materials for specific technological applications. In this paper, we use the adaptive-genetic algorithm technique for exploring the low-energy crystal structure configurations of Co0.25Fe0.5P0.25, aiming to find new low-energy non-cubic phases with high saturation magnetization that might be interesting for high-performance permanent magnet development. ; This work was supported in part by the NOVAMAG project under Grant 686056, in part by the EU Horizon 2020 Framework Program for Research and Innovation (2014–2020), and in part by the Spanish Supercomputing Network and CESVIMA for providing computational resources under Grant QCM-2016-2-0034.
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