Machine-learning predicted a superhard and high-energy-density tungsten nitride

(Science China Press) A collaborated research team led by Prof. Jian Sun and Prof. Hui-Tian Wang at the Department of Physics, Nanjing University implemented a machine-learning algorithm into the crystal structure search method and found a superhard tungsten nitride by using their new method. Their calculations show that this compound is the hardest transition metal nitride known so far, and it also has other extraordinary properties, such as high melting temperature and high-energy-density.

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