Structure and stability of multiply occupied methane clathrate hydrates

- The 512, 435663 and 51262 cages are likely to encapsulate one methane molecule.
- The 51264 and 51268 cages trend to form the multiply occupied methane hydrates.
- The methane molecules are favorable to adsorb on the hexagonal faces of the cages.
- The methane molecules can aggregate to form a molecular cluster in the large cages.