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cond-mat.mtrl-sci2025
Novel phases in the Fe-Si-O system at terapascal pressures
Nan Huang, Renata M. Wentzcovitch, Zepeng Wu +4
The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles…
cond-mat.mtrl-sci2025★ 1 cited
Prediction of Li3Fe8B8 compound with rapid one-dimensional ion diffusion channels
Shiya Chen, Paul Oftedahl, Zhen Zhang +7
Using a computational crystal structure search in the Li-Fe-B ternary system, we predict a stable phase of Li3Fe8B8, featuring 1D channels that enable rapid Li-ion transport. Ab in…