Magnetic dataset (experimental)

Definitions and conventions

The dataset is accessible through the C-structure given by

dump(MagneticDataset)

MagneticDataset <: Spglib.AbstractDataset
  uni_number::Int32
  msg_type::Int32
  hall_number::Int32
  tensor_rank::Int32
  n_operations::Int32
  rotations::Vector{StaticArraysCore.SMatrix{3, 3, Int32, 9}}
  translations::Vector{StaticArraysCore.SVector{3, Float64}}
  time_reversals::BitVector
  n_atoms::Int32
  equivalent_atoms::Vector{Int32}
  transformation_matrix::StaticArraysCore.SMatrix{3, 3, Float64, 9}
  origin_shift::StaticArraysCore.SVector{3, Float64}
  n_std_atoms::Int32
  std_lattice::Lattice{Float64}
  std_types::Vector{Int32}
  std_positions::Vector{StaticArraysCore.SVector{3, Float64}}
  std_tensors::Vector{Union{Float64, StaticArraysCore.SVector{3, Float64}}}
  std_rotation_matrix::StaticArraysCore.SMatrix{3, 3, Float64, 9}
  primitive_lattice::Lattice{Float64}

Magnetic space-group type

`uni_number`

The serial number from $1$ to $1651$ of UNI or BNS symbols.

Magnetic space groups (MSG) is classified by its family space group (FSG) and maximal space subgroup (XSG). FSG is a non-magnetic space group obtained by ignoring time-reversal term in MSG. XSG is a space group obtained by picking out non time-reversal operations in MSG.

msg_type=1 (type-I): MSG, XSG, FSG are all isomorphic.
msg_type=2 (type-II): XSG and FSG are isomorphic, and MSG is generated from XSG and pure time reversal operations
msg_type=3 (type-III): XSG is a proper subgroup of MSG with isomorphic translational subgroups.
msg_type=4 (type-IV): XSG is a proper subgroup of MSG with isomorphic point group.