most citedRaman spectroscopy and X-ray diffraction of sp3-CaCO3 at lower mantle pressures

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cond-mat.mtrl-sci2015

Unbiased crystal structure prediction of NiSi under high pressure

Pavel N. Gavryushkin, Zakhar I. Popov, Konstantin D. Litasov +1

Based on the unbiased structure prediction, we showed that the stable form of NiSi compound under the pressure of 100 and 200 GPa is the Pmmn-structure. Furthermore, we discovered…