Research/Sitter/MAGNDATA / 0.67_BiFe0.5Sc0.5O3.mcif

BiFe_0.5Sc_0.5O₃

MAGNDATA entry 0.67 · source

d-wave altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).

Spin group ²m²m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 220 K (−53 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	I m′ a 2′ BNS 46.243
Point group	m′m2′
Parent space group	I m a 2 No. 46
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.8749 · b 5.7554 · c 5.8042 Å · α 90° · β 90° · γ 90°
Transition	220 K (−53 °C)
Measured at	1.5 K
Magnetic ions	Fe, Sc
Largest moment component	2.2 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in I m′ a 2′ →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Bi	Bi	0.25	0.52	−0.0748
Fe	Fe	0	0	0	2.2	0	0	2.2
Sc	Sc	0	0	0	2.2	0	0	2.2
O1	O	0.0472	0.7687	0.2855
O2	O	0.25	0.0726	0.0652

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

D.D. Khalyavin et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.89.174414

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.67_BiFe0.5Sc0.5O3.mcif from MAGNDATA · entry page

sha256 of this copy: ceefa08462e6ba87f65a3fc6432b9134880b811b767d291e05fc5a29c64cbdd8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.67_BiFe0.5Sc0.5O3.mcif.