Understanding Results

Read FindSpinGroup output in this order: identified OSSG, corresponding MSG, magnetic phase, settings, and generated artifacts.

Identified OSSG

The primary identifier is index.

Example:

194.164.1.1.L

This is the final identified oriented spin space group index used by the FindSpinGroup route. It is not only the raw tuple of G0, L0, it, and ik components, although those components are also available in the outputs.

Common fields:

index The final identified OSSG index.

G0_symbol, G0_num The real-space group component used by the identified spin space group.

L0_symbol, L0_num The spin-lattice group component.

it, ik Translation and k-index components in the SSG identification.

conf Magnetic configuration class, such as Collinear, Coplanar, or Noncoplanar.

Corresponding MSG

FindSpinGroup also reports the magnetic space group associated with the identified result.

Common fields:

msg_symbol The BNS magnetic space group symbol.

msg_bns_number The BNS number.

msg_og_number The OG number when available.

msg_type The MSG type.

Magnetic Phase And Physical Flags

The most useful high-level field is magnetic_phase.

Example:

AFM(Altermagnet)

Related fields:

is_alter Altermagnet tag when the route identifies altermagnetic behavior.

is_spin_orbit_magnet Spin-orbit-magnet tag when detected.

properties Compact physical-property summary. In the full result, related fields include spin-splitting and anomalous-Hall-conductivity constraints with and without spin-orbit coupling.

Settings And Operation Outputs

A magnetic structure can be represented in several cell settings. Always check which setting an operation or generated file belongs to before using it in a downstream program.

input The structure as supplied by the user.

input_magnetic_primitive The magnetic primitive reduction of the input structure.

database_standard The selected G0std or L0std database-standard setting used by identify-index.

convention The public convention setting used for OSSG/GSPG presentation.

acc_primitive The ACC magnetic primitive setting used for downstream POSCAR and Brillouin-zone outputs.

acc_conventional The ACC conventional setting.

Use result.to_structured_dict() to see the full result grouped by these semantic layers.

Generated Artifacts

The full route can generate text artifacts for downstream workflows.

result.scif Default generated SCIF text.

result.to_scif(cell_mode=...) Generated SCIF text for an explicit output mode.

result.acc_primitive_magnetic_cell_poscar POSCAR text in the ACC primitive magnetic cell.

result.KPOINTS KPOINTS text with spin-polarization labels.

result.gspg_text Compact GSPG text and operation payload.

Diagnostics

Diagnostic fields explain how the result was produced. They are useful for debugging, validation, and advanced workflows, but most users should read the summary fields first.

Examples include tolerances, identify_index_details, ACC primitive resolution audits, transform audits, quasi_2d, and ferroelectric_switching.