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Acta Cryst. (2014). C70, 85-103  [ doi:10.1107/S2053229613027551 ]

Computational materials discovery: the case of the W-B system

X.-Y. Cheng, X.-Q. Chen, D.-Z. Li and Y.-Y. Li

Synopsis: Parameter-free variable-compositional evolutionary algorithm searches, together with first-principles calculations, yield the prediction of new tungsten borides, as well as confirmation of a series of experimentally known borides.


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