moyopy._data

moyopy._data#

Classes#

`Setting`	Preference for the setting of the space group.
`Centering`
`HallSymbolEntry`	An entry containing space-group information for a specified hall_number.
`SpaceGroupType`	Space-group type information.
`MagneticSpaceGroupType`	Magnetic space-group type information.

Functions#

operations_from_number(→ moyopy._base.Operations)

Module Contents#

class moyopy._data.Setting[source]#

Preference for the setting of the space group.

classmethod spglib() → Setting[source]#: The setting of the smallest Hall number.

classmethod standard() → Setting[source]#: Unique axis b, cell choice 1 for monoclinic, hexagonal axes for rhombohedral, and origin choice 2 for centrosymmetric space groups.

classmethod hall_number(hall_number: int) → Setting[source]#: Specific Hall number from 1 to 530.

class moyopy._data.Centering[source]#

class moyopy._data.HallSymbolEntry(hall_number: int)[source]#

An entry containing space-group information for a specified hall_number.

property hall_number: int[source]#: Number for Hall symbols (1 - 530).

property number: int[source]#: ITA number for space group types (1 - 230).

property arithmetic_number: int[source]#: Number for arithmetic crystal classes (1 - 73).

property setting: Setting[source]#: Setting.

property hall_symbol: str[source]#: Hall symbol.

property hm_short: str[source]#: Hermann-Mauguin symbol in short notation.

property hm_full: str[source]#: Hermann-Mauguin symbol in full notation.

property centering: Centering[source]#: Centering.

class moyopy._data.SpaceGroupType(number: int)[source]#

Space-group type information.

property number: int[source]#: ITA number for space group types (1 - 230).

property hm_short: str[source]#: Hermann-Mauguin symbol in short notation.

property hm_full: str[source]#: Hermann-Mauguin symbol in full notation.

property arithmetic_number: int[source]#: Number for arithmetic crystal classes (1 - 73).

property arithmetic_symbol: str[source]#

Symbol for arithmetic crystal class.

See spglib/moyo for string values.

property geometric_crystal_class: str[source]#

Geometric crystal class.

See spglib/moyo for string values.

property crystal_system: str[source]#

Crystal system.

See spglib/moyo for string values.

property bravais_class: str[source]#

Bravais class.

See spglib/moyo for string values.

property lattice_system: str[source]#

Lattice system.

See spglib/moyo for string values.

property crystal_family: str[source]#

Crystal family.

See spglib/moyo for string values.

class moyopy._data.MagneticSpaceGroupType(uni_number: int)[source]#

Magnetic space-group type information.

property uni_number: int[source]#: Serial number of UNI (and BNS) symbols.

property litvin_number: int[source]#: Serial number in Litvin’s Magnetic group tables.

property bns_number: str[source]#: BNS number e.g. ‘151.32’

property og_number: str[source]#: OG number e.g. ‘153.4.1270’

property number: int[source]#: ITA number for reference space group in BNS setting.

property construct_type: int[source]#: Construct type of magnetic space group from 1 to 4.

moyopy._data.operations_from_number(number: int, *, setting: Setting | None = None) → moyopy._base.Operations[source]#