PhaseInfo#

class gm3dh5.protocols.PhaseInfo(id: int, name: str, unit_cell: Tuple[float, float, float, float, float, float], space_group: int, crystal_system: str | None, universal_hermann_mauguin: str | None)#

Phase information of the data set.

Parameters:

id (int) – PhaseId used in the data set.
name (str) – Name of the phase.
unit_cell (Tuple[float, float, float, float, float, float]) – Unit cell parameters \((a,b,c,\alpha,\beta,\gamma)\) in Å and degrees.
space_group (int) – Space group number according to the ITA.
crystal_system (str | None) – Crystal system.
universal_hermann_mauguin (str | None) – Hermann-Mauguin symbol.

Attributes

`PhaseInfo.id`	PhaseId used in the data set.
`PhaseInfo.name`	Name of the phase.
`PhaseInfo.unit_cell`	Unit cell parameters \((a,b,c,\alpha,\beta,\gamma)\) in Å and degrees.
`PhaseInfo.space_group`	Space group number according to the ITA.
`PhaseInfo.crystal_system`	Crystal system.
`PhaseInfo.universal_hermann_mauguin`	Hermann-Mauguin symbol.

Methods