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cond-mat.mtrl-sci2017
Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2
Nadezhda B. Bolotina, Pavel N. Gavryushkin, Andrey V. Korsakov +6
Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined in the (3+1)D symmetry group Cmcm(α00)00s with modulation vector q = 0.383a*.…
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…