BasicResult

Returned by:

summary = find_spin_group_basic("path/to/structure.mcif")

Also used by the default CLI route:

fsg path/to/structure.mcif

Use BasicResult for compact identification and screening.

Shape

{
    "index": str,
    "ossg_symbol_linear": str,
    "g0_symbol": str,
    "g0_number": int,
    "l0_symbol": str,
    "l0_number": int,
    "it": int,
    "ik": int,
    "nsspg": str,
    "sspg": str,
    "nontrivial_spin_space_point_group_hm": str,
    "nontrivial_spin_space_point_group_schoenflies": str,
    "spin_space_point_group_hm": str,
    "spin_space_point_group_schoenflies": str,
    "acc_symbol": str,
    "space_group_symbol": str,
    "space_group_number": int,
    "msg_symbol": str | None,
    "msg_type": int | None,
    "msg_bns_number": str | None,
    "msg_og_number": str | None,
    "conf": str,
    "phase": str,
    "magnetic_phase": str,
    "properties": BasicProperties,
    "tolerances": Tolerances,
    "identify_index_details": dict,
    "acc_primitive_resolution_audit": dict,
    "ferroelectric_switching": dict,
}

Read First

index Final identified oriented spin space group index. Example: 194.164.1.1.L.

ossg_symbol_linear Linear oriented spin space group symbol in the selected convention setting.

magnetic_phase High-level magnetic phase classification. Example: AFM(Altermagnet).

msg_bns_number BNS number of the corresponding magnetic space group.

msg_symbol BNS symbol of the corresponding magnetic space group.

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

SSG Components

g0_symbol, g0_number Real-space group component of the identified SSG.

l0_symbol, l0_number Spin-lattice group component of the identified SSG.

it Translation-index component of the identified SSG label.

ik k-index component of the identified SSG label.

nsspg Nontrivial spin-space point-group HM symbol.

sspg Full spin-space point-group HM symbol.

nontrivial_spin_space_point_group_hm, nontrivial_spin_space_point_group_schoenflies Nontrivial spin-space point group in HM and Schoenflies notation.

spin_space_point_group_hm, spin_space_point_group_schoenflies Full spin-space point group in HM and Schoenflies notation.

acc_symbol Spin arithmetic crystal class symbol.

empg Effective magnetic point-group symbol.

Input SG And MSG

space_group_symbol, space_group_number Input real-space group symbol and number.

sg_is_polar, sg_is_chiral Polar and chiral flags for the input space group.

ssg_is_polar, ssg_is_chiral Polar and chiral flags for the real-space projection of the identified SSG.

msg_symbol, msg_type, msg_bns_number, msg_og_number Corresponding magnetic space group identifiers.

msg_is_polar, msg_is_chiral Polar and chiral flags for the corresponding MSG.

Magnetic Phase

phase Compact alias for magnetic_phase.

magnetic_phase_base Base magnetic phase before modifiers.

magnetic_phase_modifier Modifier appended to the base phase.

magnetic_phase_details Classifier evidence and diagnostic details. Important keys include conf, net_moment, zero_net_moment, classification_rule, base_phase, modifier, spin_splitting_without_soc, is_altermagnet, and is_spin_orbit_magnet.

net_moment Net magnetic moment magnitude used by the classifier.

zero_net_moment_tol Tolerance used for zero-net-moment decisions.

Properties

properties Compact physical-property summary.

{
    "ss_w_soc": str,
    "ss_wo_soc": str,
    "ahc_w_soc": str,
    "ahc_wo_soc": str,
    "is_alter": str,
    "is_spin_orbit_magnet": str,
    "magnetic_phase_base": str,
    "magnetic_phase_modifier": str,
}

is_alter Display tag for altermagnet classification. Empty when not applicable.

is_som Display tag for spin-orbit-magnet classification. Empty when not applicable.

Spin Texture And Vector Constraints

spin_texture_config_database Spin-texture configuration summary loaded from the runtime database.

spin_texture_config_no_soc Spin-texture configuration from the non-SOC route.

spin_texture_config_soc Spin-texture configuration from the SOC-compatible route.

vector_constraints_by_symmetry Vector constraints grouped by sg, ossg, and msg.

Transforms And Diagnostics

T_input_to_acc_primitive Transform from input cell to ACC primitive magnetic cell.

T_selected_standard_to_acc_primitive Transform from selected database-standard setting to ACC primitive magnetic cell.

identify_index_details Diagnostic payload from the identify-index route.

acc_primitive_resolution_audit Diagnostic payload describing how the ACC primitive route was resolved.

tolerances Effective tolerance values: space_tol, mtol, meigtol, matrix_tol, and parser_atol.

quasi_2d None for the basic public 3D route.

ferroelectric_switching Symmetry-only ferroelectric-switching payload.