SCIF

findspingroup can export a repo-generated spinCIF-style .scif snapshot from the MagSymmetryResult, and can also parse that generated .scif back through the same public input path.

Export

from findspingroup import example_path, find_spin_group

result = find_spin_group(example_path("0.800_MnTe.mcif"))

scif_text = result.scif
assert scif_text == result.to_scif(cell_mode="ssg_convention_oriented")

Available export modes:

scif_convention = result.to_scif(cell_mode="ssg_convention_oriented")
scif_standard = result.to_scif(cell_mode="database_standard_oriented")
scif_primitive = result.to_scif(cell_mode="magnetic_primitive_oriented")
scif_input_direct = result.to_scif(cell_mode="input_oriented")

Mode	Meaning
ssg_convention_oriented	Default public OSSG convention output.
ssg_convention_cartesian	Public OSSG convention output with Cartesian spin components.
database_standard_oriented	Raw selected SSG database standard setting, with spin components tied to the emitted lattice basis.
database_standard_cartesian	Raw selected SSG database standard setting, with Cartesian spin components.
magnetic_primitive_oriented	ACC magnetic primitive-cell output, with spin components tied to the emitted lattice basis.
magnetic_primitive_cartesian	ACC magnetic primitive-cell output, with Cartesian spin components.
input_oriented	Direct input-cell identified output, with spin components tied to the input lattice basis.
input_cartesian	Direct input-cell identified output, with Cartesian spin components.

Legacy aliases are kept for compatibility: database_standard, magnetic_primitive, and input_identified map to the corresponding oriented modes. There is no separate input SCIF mode.

Database-standard output

database_standard_* writes the symmetry operations in the selected database standard setting used by identify-index:

• non-type-k results use the raw G0std setting
• type-k results use the raw L0std setting
• the setting is taken before any final-convention canonicalization

Generated SCIF text records the choice with repo-local tags:

_space_group_spin.fsg_scif_real_space_setting  "G0std"
_space_group_spin.fsg_scif_spin_frame_setting  "oriented"

For *_oriented modes, spin components are tied to the emitted lattice basis. For *_cartesian modes, spin components are Cartesian. The transform written in _space_group_spin.transform_spinframe_P_abc records the spin-frame basis used by the file.

Current generator rules

• repo-local FINDSPINGROUP metadata is emitted under CIF-legal _space_group_spin.fsg_* tags
• symmetry-operation and transform coefficients keep full precision by default
• values near simple fractions or common square-root forms may be written as symbolic expressions such as 1/3, 2/3, or sqrt(6)/3
• _space_group_spin.number_Chen_Liu is the SSG number for the exported SCIF mode; for input_identified, it is the directly identified input-cell number
• repo-generated .scif files can be parsed back with find_spin_group(...) and are regression-tested to preserve the identified index
• in quasi-2D mode, generated SCIF may include additive repo-local tags such as _space_group_spin.fsg_calculation_mode, _space_group_spin.fsg_vacuum_axis_input, and _space_group_spin.fsg_spin_splitting_2d_interpretation; these tags do not change the SSG index encoded by the file