Recent progress on the prediction of two-dimensional materials using CALYPSO
Tang Cheng, Kour Gurpreet, Du Aijun
       

Structures and relative energies of (a) 1 Td-MoS2 and (b) T -MoS2, respectively.[59,163] (c) Atomic structures of monolayer metal oxides, including ZrO2, HfO2, NiO2, PtO2, GeO2, SnO2, MoO2, WO2, SnO2, MoO3, TiO2, Mo2O5 and W2O5.[80] Reprinted with permission from Ref. [59], Copyright 2016 Royal Society of Chemistry. Ref. [163], Copyright 2018 Royal Society of Chemistry. Ref. [80], Copyright 2019 Royal Society of Chemistry.