Geoscience material structures prediction via CALYPSO methodology |
(a) Ternary phase diagram of H2O, NH3 and CH4, with known methane hydrates phases (“MH-I” etc), ammonia hydrates (“ADH” etc.), and the solar abundance ratio (grey circle) indicated. (b) ELF=0.7 isosurface of ammonia quarterhydrate (AQH) at 100 GPa, outlining spherical oxygen anions |