uf3.data.composition.get_element_combinations

get_element_combinations(element_list: Collection[str], n: int = 3) → List[Tuple[str]]

Find chemical interactions from element list based on

combinations (choose n). First column corresponds to the “center” atom, incorporates permutational symmetry for other positions.

Parameters

• element_list (list) – symbols of elements in chemical system

• n (int) – degree of interactions.

Returns

combinations (list)