BatchExport

Batch export columns are used by screening and regression comparison routes.

Metadata Columns

source_fsg_version FindSpinGroup version used to generate the row.

source_run_tag Run tag.

source_route Route used to generate the row.

Case Columns

case_id Stable case identifier.

file_name Input file name.

status Case status.

duration_seconds Runtime for the case.

index Identified OSSG index.

conf Magnetic configuration class.

phase Magnetic phase classification.

acc Spin arithmetic crystal class.

msg_acc MSG spin arithmetic crystal class when available.

Identify Columns

G0_id G0 group identifier.

L0_id L0 group identifier.

t_index Translation-index component.

k_index k-index component.

Spin Point-Group Columns

nsspg_hm Nontrivial spin-part point group in Hermann-Mauguin notation.

nsspg_symbol Nontrivial spin-part point-group symbol.

sspg_hm Full spin-part point group in Hermann-Mauguin notation.

sspg_symbol Full spin-part point-group symbol.

ssg_type SSG type when available.

spin_only_direction Spin-only direction when applicable.

Symbol Columns

ossg_symbol Public OSSG symbol.

primitive_ssg_symbol Primitive-cell SSG symbol.

sg_symbol, sg_num Input space-group symbol and number.

sg_is_centrosymmetric, sg_is_polar, sg_is_chiral Input space-group flags.

ossg_space_group_number Real-space group number of the OSSG projection.

ossg_is_centrosymmetric, ossg_is_polar, ossg_is_chiral OSSG real-space projection flags.

msg_symbol, msg_num, msg_type, msg_bns_number, msg_og_number MSG identifiers.

msg_parent_space_group_number Parent space-group number of the MSG.

msg_is_centrosymmetric, msg_is_polar, msg_is_chiral MSG flags.

Property Columns

spin_splitting_with_soc Spin-splitting conclusion with SOC.

spin_splitting_without_soc Spin-splitting conclusion without SOC.

ahc_with_soc AHC constraint with SOC.

ahc_without_soc AHC constraint without SOC.

is_altermagnet Altermagnet flag.

is_spin_orbit_magnet Spin-orbit-magnet flag.

Wyckoff And Magnetic-Site Columns

wyckoff_split Wyckoff splitting summary.

acc_primitive_wyckoff_split ACC primitive Wyckoff splitting summary.

magnetic_site_status Status of magnetic-site analysis.

magnetic_site_setting Setting used for magnetic-site output.

magnetic_site_sg_primitive_to_magnetic_primitive_cell_expansion Expansion between SG primitive and magnetic primitive cells.

magnetic_atom_count Number of magnetic atoms.

nonzero_moment_atom_count Number of magnetic atoms with nonzero moment.

zero_moment_magnetic_atom_count Number of selected magnetic atoms with zero moment.

magnetic_atom_selection_mode Mode used to select magnetic atoms.

number_of_magnetic_orbits_sg Number of magnetic orbits under SG.

number_of_magnetic_orbits_ssg Number of magnetic orbits under SSG.

number_of_magnetic_orbits_msg Number of magnetic orbits under MSG.

max_magnetic_site_dof_ssg, max_magnetic_site_dof_msg Maximum magnetic-site degrees of freedom under SSG and MSG.

total_magnetic_site_dof_ssg, total_magnetic_site_dof_msg Total magnetic-site degrees of freedom under SSG and MSG.

magnetic_wyckoff_dof_summary Compact magnetic Wyckoff degree-of-freedom summary.

Error Columns

error_type Exception or error category.

error_message Human-readable error message.

Quasi-2D Columns

quasi2d_status Status of quasi-2D diagnostics.

quasi2d_source Source of quasi-2D interpretation.

vacuum_axis_input Input-cell axis treated as the vacuum direction.

spin_splitting_2d 2D spin-splitting conclusion.

spin_splitting_2d_interpretation Controlled interpretation text for the 2D spin-splitting conclusion.

is_alter_2d 2D altermagnet flag.

quasi2d_magnetic_phase 2D magnetic phase label.

quasi2d_gp_label, quasi2d_gp_symbol Generic-point label and symbol used in quasi-2D diagnostics.

quasi2d_gp_k_input, quasi2d_gp_k_acc Generic-point k coordinates in input and ACC settings.

quasi2d_gp_spin_splitting Spin splitting at the quasi-2D generic point.

quasi2d_gp_spin_polarizations Spin polarizations at the quasi-2D generic point.

quasi2d_kpoint_projection_summary Summary of k-point projection into in-plane, out-of-plane, mixed, and unknown classes.

quasi2d_kpoints Compact quasi-2D k-point rows.